Classification Term: 167946

单酚 (ontology term: b26a1ea54246a5bf7545099f40d95e93)

单酚

found 150 associated metabolites at sub_class metabolite taxonomy ontology rank level.

Ancestor: 酚类

Child Taxonomies: There is no child term of current ontology term.

4-Hydroxybenzyl alcohol

4-(Hydroxymethyl)phenol;p-Hydroxybenzyl alcohol;p-Methylolphenol

C7H8O2 (124.0524)


4-hydroxybenzyl alcohol is the cleavage product produced during the biosynthesis of the thiazole moiety of thiamine from tyrosine as part of the thiamine biosynthesis pathway. It is a derivative of benzyl alcohol which is used as a local anesthetic and to reduce pain associated with Lidocaine injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutical aid, and in perfumery and flavoring. Benzyl Alcohol is an aromatic alcohol used in a wide variety of cosmetic formulations as a fragrance component, preservative, solvent, and viscosity-decreasing agent. Benzyl Alcohol is metabolized to Benzoic Acid, which reacts with glycine and excreted as hippuric acid in the human body. Acceptable daily intakes were established by the World Health Organization at 5 mg/kg for Benzyl Alcohol. No adverse effects of benzyl alcohol have been seen in chronic exposure animal studies using rats and mice. Effects of Benzyl Alcohol in chronic exposure animal studies are limited to reduced feed intake and reduced growth. Some differences have been noted in one reproductive toxicity study using mice, but these were limited to lower maternal body weights and decreased mean litter weights. Another study also noted that fetal weight was decreased compared to controls, but a third study showed no differences between control and benzyl alcohol-treated groups. Benzyl Alcohol has been associated with an increased number of resorptions and malformations in hamsters, but there have been no reproductive or developmental toxicity findings in studies using mice and rats. Genotoxicity tests for benzyl alcohol are mostly negative, but there were some assays that were positive. Carcinogenicity studies, however, were negative. Clinical data indicates that benzyl alcohol can produce nonimmunologic contact urticaria and nonimmunologic immediate contact reactions, characterized by the appearance of wheals, erythema, and pruritis. 5\\\\% benzyl alcohol can elicit a reaction. Benzyl Alcohol is not a sensitizer at 10\\\\%. Benzyl Alcohol could be used safely at concentrations up to 5\\\\%, but that manufacturers should consider the nonimmunologic phenomena when using benzyl alcohol in cosmetic formulations designed for infants and children. Additionally, Benzyl Alcohol is considered safe up to 10\\\\% for use in hair dyes. The limited body exposure, the duration of use, and the frequency of use are considered in concluding that the nonimmunologic reactions would not be a concern. Because of the wide variety of product types in which benzyl alcohol may be used, it is likely that inhalation may be a route of exposure. The available safety tests are not considered sufficient to support the safety of benzyl alcohol in formulations where inhalation is a route of exposure. Inhalation toxicity data are needed to complete the safety assessment of benzyl alcohol where inhalation can occur. (PMID: 11766131). P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of phenols and a member of benzyl alcohols. 4-Hydroxybenzyl alcohol is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 4-Hydroxybenzyl alcohol is a natural product found in Populus laurifolia, Mesua, and other organisms with data available. Constituent of muskmelon (Cucurbita moschata) 4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4]. 4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4].

   

kakoul

1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propan-1-one

C10H10O4 (194.0579)


Kakuol is a member of benzodioxoles. Kakuol is a natural compound with antifungal activity[1]. Kakuol is a natural compound with antifungal activity[1].

   

alpha-Tocopherol

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)-

C29H50O2 (430.3811)


Alpha-tocopherol is a pale yellow, viscous liquid. (NTP, 1992) (R,R,R)-alpha-tocopherol is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has a role as an antioxidant, a nutraceutical, an antiatherogenic agent, an EC 2.7.11.13 (protein kinase C) inhibitor, an anticoagulant, an immunomodulator, an antiviral agent, a micronutrient, an algal metabolite and a plant metabolite. It is an enantiomer of a (S,S,S)-alpha-tocopherol. In 1922, vitamin E was demonstrated to be an essential nutrient. Vitamin E is a term used to describe 8 different fat soluble tocopherols and tocotrienols, alpha-tocopherol being the most biologically active. Vitamin E acts as an antioxidant, protecting cell membranes from oxidative damage. The antioxidant effects are currently being researched for use in the treatment of diseases causing bone loss, cardiovascular diseases, diabetes mellitus and associated comorbidities, eye diseases, inflammatory diseases (including skin conditions), lipid disorders, neurological diseases, and radiation damage. Though this research is so far inconclusive, vitamin E remains a popular supplement and is generally considered safe by the FDA. Vitamin E is a natural product found in Monteverdia ilicifolia, Calea jamaicensis, and other organisms with data available. Alpha-Tocopherol is the orally bioavailable alpha form of the naturally-occurring fat-soluble vitamin E, with potent antioxidant and cytoprotective activities. Upon administration, alpha-tocopherol neutralizes free radicals, thereby protecting tissues and organs from oxidative damage. Alpha-tocopherol gets incorporated into biological membranes, prevents protein oxidation and inhibits lipid peroxidation, thereby maintaining cell membrane integrity and protecting the cell against damage. In addition, alpha-tocopherol inhibits the activity of protein kinase C (PKC) and PKC-mediated pathways. Alpha-tocopherol also modulates the expression of various genes, plays a key role in neurological function, inhibits platelet aggregation and enhances vasodilation. Compared with other forms of tocopherol, alpha-tocopherol is the most biologically active form and is the form that is preferentially absorbed and retained in the body. A generic descriptor for all tocopherols and tocotrienols that exhibit alpha-tocopherol activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of isoprenoids. See also: Alpha-Tocopherol Acetate (is active moiety of); Tocopherol (related); Vitamin E (related) ... View More ... alpha-Tocopherol is traditionally recognized as the most active form of vitamin E in humans and is a powerful biological antioxidant. The measurement of "vitamin E" activity in international units (IU) was based on fertility enhancement by the prevention of spontaneous abortions in pregnant rats relative to alpha-Tocopherol. Natural vitamin E exists in eight different forms or isomers: four tocopherols and four tocotrienols. In foods, the most abundant sources of vitamin E are vegetable oils such as palm oil, sunflower, corn, soybean, and olive oil. Nuts, sunflower seeds, and wheat germ are also good sources. Constituent of many vegetable oils such as soya and sunflower oils. Dietary supplement and nutrient. Nutriceutical with anticancer and antioxidant props. Added to fats and oils to prevent rancidity. The naturally-occurring tocopherol is a single stereoisomer; synthetic forms are a mixture of all eight possible isomers An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. α-Tocopherol (alpha-tocopherol) is a type of vitamin E. Its E number is "E307". Vitamin E exists in eight different forms, four tocopherols and four tocotrienols. All feature a chromane ring, with a hydroxyl group that can donate a hydrogen atom to reduce free radicals and a hydrophobic side chain which allows for penetration into biological membranes. Compared to the others, α-tocopherol is preferentially absorbed and accumulated in humans. Vitamin E is found in a variety of tissues, being lipid-soluble, and taken up by the body in a wide variety of ways. The most prevalent form, α-tocopherol, is involved in molecular, cellular, biochemical processes closely related to overall lipoprotein and lipid homeostasis. Ongoing research is believed to be "critical for manipulation of vitamin E homeostasis in a variety of oxidative stress-related disease conditions in humans."[2] One of these disease conditions is the α-tocopherol role in the use by malaria parasites to protect themselves from the highly oxidative environment in erythrocytes.[3] DL-α-Tocopherol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16826-11-2 (retrieved 2024-06-29) (CAS RN: 10191-41-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). DL-alpha-Tocopherol is a synthetic vitamin E, with antioxidation effect. DL-alpha-Tocopherol protects human skin fibroblasts against the cytotoxic effect of UVB[1]. DL-alpha-Tocopherol is a synthetic vitamin E, with antioxidation effect. DL-alpha-Tocopherol protects human skin fibroblasts against the cytotoxic effect of UVB[1]. rel-α-Vitamin E (rel-D-α-Tocopherol) is a vitamin with antioxidant properties and also a mixture[1]. α-Vitamin E ((+)-α-Tocopherol), a naturally occurring vitamin E form, is a potent antioxidant[1][2]. α-Vitamin E ((+)-α-Tocopherol), a naturally occurring vitamin E form, is a potent antioxidant[1][2].

   

2,3,8-Tri-O-methylellagic acid

6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C17H12O8 (344.0532)


3,4,3-Tri-O-methylellagic acid is a tannin. 2,3,8-Tri-O-methylellagic acid is a natural product found in Lagerstroemia speciosa, Cercidiphyllum japonicum, and other organisms with data available.

   

4-Hydroxy-3-methoxybenzenemethanol

2-Pyridinecarboxylicacid, 6-amino-3-bromo-, methyl ester

C8H10O3 (154.063)


4-Hydroxy-3-methoxybenzenemethanol, also known as 4-hydroxy-3-methoxybenzyl alcohol or 3-methoxy-4-hydroxybenzyl alcohol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 4-Hydroxy-3-methoxybenzenemethanol is a drug. 4-Hydroxy-3-methoxybenzenemethanol is a sweet, anise, and balsam tasting compound. 4-hydroxy-3-methoxybenzenemethanol has been detected, but not quantified, in fruits and herbs and spices. This could make 4-hydroxy-3-methoxybenzenemethanol a potential biomarker for the consumption of these foods. Vanillyl alcohol is a monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. It has a role as a plant metabolite. It is a member of guaiacols and a member of benzyl alcohols. Vanillyl alcohol has been used in trials studying the treatment of Smoking. Vanillyl alcohol is a natural product found in Artemisia rutifolia, Euglena gracilis, and other organisms with data available. Constituent of Capsicum subspecies; flavouring ingredient. 4-Hydroxy-3-methoxybenzenemethanol is found in herbs and spices and fruits. A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. Vanillyl alcohol (p-(Hydroxymethyl)guaiacol), derived from vanillin, is a phenolic alcohol and is used as a flavoring agent in foods and beverages[1]. Vanillyl alcohol (p-(Hydroxymethyl)guaiacol), derived from vanillin, is a phenolic alcohol and is used as a flavoring agent in foods and beverages[1].

   

Combretastatin A4

phenol, 2-methoxy-5-((1z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-,1-(dihydrogen phosphate)

C18H20O5 (316.1311)


Combretastatin A4 is a stilbenoid. Combretastatin A4 is a natural product found in Combretum caffrum with data available. Combretastatin A-4 is an inhibitor of microtubule polymerization derived from the South African willow bush which causes mitotic arrest and selectively targets and reduces or destroys existing blood vessels, causing decreased tumor blood supply. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents Combretastatin A4 is a microtubule-targeting agent that binds β-tubulin with Kd of 0.4 μM.

   

Cannabisin F

2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]-, (2Z)-

C36H36N2O8 (624.2472)


Cannabisin F is a natural product found in Mitrephora tomentosa, Mitrephora thorelii, and Cannabis sativa with data available.

   

Gamma-tocopherol

(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

C28H48O2 (416.3654)


Gamma-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. It has a role as a plant metabolite, a food antioxidant and an algal metabolite. It is a vitamin E and a tocopherol. gamma-Tocopherol is under investigation in clinical trial NCT00836368 (In Vitro Basophil Responsiveness to Allergen Challenge After Gamma-tocopherol Supplementation in Allergic Asthmatics). gamma-Tocopherol is a natural product found in Hypericum perfoliatum, Hypericum tomentosum, and other organisms with data available. Gamma-Tocopherol is the orally bioavailable gamma form of the naturally-occurring fat-soluble vitamin E, found in certain nuts and seeds, with potential antioxidant activity. Although the exact mechanism of action of this tocopherol has yet to be fully identified, gamma-tocopherol appears to have the ability to scavenge free radicals, thereby protecting against oxidative damage. A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites. gamma-Tocopherol, also known as 7,8-dimethyltocol, belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. They differ from tocotrienols which contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain. It is estimated that 50\\\\\% of gamma-tocopherol is metabolized into gamma-CEHC and excreted into the urine. gamma-Tocopherol is the predominant form of vitamin E in plant seeds and derived products (e.g. nuts and vegetable oils). Unlike alpha-tocopherol, gamma-tocopherol inhibits cyclooxygenase activity and, therefore, exhibit anti-inflammatory properties (PMID: 11722951). Occurs in many nut and other vegetable oils such as soya and sunflower oil. It is used as antioxidant food additive. Member of Vitamin E group. Added to fats and oils to prevent rancidity. The naturally occurring tocopherol is a single steroisomer; synthetic forms are a mixture of all eight possible isomers [DFC] A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. (+)-γ-Tocopherol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=54-28-4 (retrieved 2024-07-01) (CAS RN: 54-28-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1]. γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1].

   

Cassiaside B2

6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one

C39H52O25 (920.2798)


Constituent of the seeds of Cassia tora (charota). Cassiaside B2 is found in coffee and coffee products, herbs and spices, and pulses. Cassiaside B2 is found in coffee and coffee products. Cassiaside B2 is a constituent of the seeds of Cassia tora (charota). Cassiaside B2 is an oligosaccharide. Cassiaside B2 is a natural product found in Senna obtusifolia with data available.

   

Pluviatolide

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C20H20O6 (356.126)


(-)-pluviatolide is a butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). It has a role as a plant metabolite. It is a member of phenols, a member of benzodioxoles, an aromatic ether, a lignan and a butan-4-olide. Pluviatolide is a natural product found in Torreya jackii, Syringa pinnatifolia, and other organisms with data available. A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer).

   

2-Methoxy-4-vinylphenol

4-ethenyl-2-methoxyphenol

C9H10O2 (150.0681)


2-methoxy-4-vinylphenol is a member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. It has a role as a pheromone, a flavouring agent and a plant metabolite. 2-Methoxy-4-vinylphenol is a natural product found in Coffea, Coffea arabica, and other organisms with data available. 4-Vinylguaiacol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Moringa oleifera leaf oil (part of). 2-Methoxy-4-vinylphenol is an aromatic substance used as a flavoring agent. It is one of the compounds responsible for the natural aroma of buckwheat. A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. Responsible for off-flavour of old fruit in stored orange juice 2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2]. 2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2].

   

Acetosyringone

4 inverted exclamation mark -Hydroxy-3 inverted exclamation mark ,5 inverted exclamation mark -dimethoxyacetophenone

C10H12O4 (196.0736)


Acetosyringone is a member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as a non-steroidal anti-inflammatory drug, an anti-asthmatic drug, a non-narcotic analgesic, a peripheral nervous system drug and a plant metabolite. It is a member of acetophenones, a dimethoxybenzene and a member of phenols. Acetosyringone is a natural product found in Justicia adhatoda, Polyporus umbellatus, and other organisms with data available. Acetosyringone is a metabolite found in or produced by Saccharomyces cerevisiae. A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Annotation level-1 Acetosyringone is a phenolic compound from wounded plant cells, enables virA gene which encodes a membrane-bound kinase to phosphorylate itself and activate the virG gene product, which stimulates the transcription of other vir genes and itself[1]. Acetosyringone enhances efficient Dunaliella transformation of Agrobacterium strains[2]. Acetosyringone is a phenolic compound from wounded plant cells, enables virA gene which encodes a membrane-bound kinase to phosphorylate itself and activate the virG gene product, which stimulates the transcription of other vir genes and itself[1]. Acetosyringone enhances efficient Dunaliella transformation of Agrobacterium strains[2].

   

(-)-Maackiain

(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol

C16H12O5 (284.0685)


(-)-maackiain is the (-)-enantiomer of maackiain. It is an enantiomer of a (+)-maackiain. Maackiain is a natural product found in Tephrosia virginiana, Leptolobium bijugum, and other organisms with data available. (-)-Maackiain. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2035-15-6 (retrieved 2024-07-09) (CAS RN: 2035-15-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1]. (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts[1].

   

Methyl 2-hydroxybenzoate

methyl 2-hydroxybenzoate

C8H8O3 (152.0473)


Methyl salicylate appears as colorless yellowish or reddish liquid with odor of wintergreen. (USCG, 1999) Methyl salicylate is a benzoate ester that is the methyl ester of salicylic acid. It has a role as a flavouring agent, a metabolite and an insect attractant. It is a benzoate ester, a member of salicylates and a methyl ester. It is functionally related to a salicylic acid. Methyl salicylate (oil of wintergreen or wintergreen oil) is an organic ester naturally produced by many species of plants, particularly wintergreens. The compound was first extracted and isolated from plant species Gaultheria procumbens in 1843. It can be manufactured synthetically and it used as a fragrance, in foods, beverages, and liniments. It forms a colorless to yellow or reddish liquid and exhibits a characteristic odor and taste of wintergreen. For acute joint and muscular pain, methyl salicylate is used as a rubefacient and analgesic in deep heating liniments. It is used as a flavoring agent in chewing gums and mints in small concentrations and added as antiseptic in mouthwash solutions. Methyl Salicylate is a natural product found in Nepeta nepetella, Eupatorium cannabinum, and other organisms with data available. Methyl 2-hydroxybenzoate is found in beverages. Methyl 2-hydroxybenzoate is present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Methyl 2-hydroxybenzoate is found in leaves of Gaultheria procumbens (wintergreen). Methyl 2-hydroxybenzoate is a flavouring agent. Methyl 2-hydroxy benzoate is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Salicylic Acid (has active moiety); Clove Oil (part of); LIDOCAINE; MENTHOL; Methyl Salicylate (component of) ... View More ... Methyl 2-hydroxybenzoate, also known as methyl salicylate, 2-(methoxycarbonyl)phenol or 2-carbomethoxyphenol, belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. Methyl 2-hydroxybenzoate is a mint, peppermint, and wintergreen tasting compound. Methyl 2-hydroxybenzoate is found, on average, in the highest concentration within hyssops and bilberries. Methyl 2-hydroxybenzoate has also been detected, but not quantified, in several different foods, such as chinese cinnamons, tamarinds, tea, mushrooms, and roselles. Minor metabolism may occur in various tissues but hepatic metabolism constitutes the majority of metabolic processes of absorbed methyl salicylate. Methyl 2-hydroxybenzoate is a potentially toxic compound. Present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. For acute joint and muscular pain, Methyl 2-hydroxybenzoate is used as a rubefacient and analgesic in deep heating liniments. This is thought to mask the underlying musculoskeletal pain and discomfort. Severe toxicity can result in acute lung injury, lethargy, coma, seizures, cerebral edema, and death. Counter-irritation is believed to cause a soothing sensation of warmth. Methyl salicylate plays a role as a signaling molecule in plants. Present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Found in leaves of Gaultheria procumbens (wintergreen). Flavouring agent. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic A benzoate ester that is the methyl ester of salicylic acid. D018501 - Antirheumatic Agents D005404 - Fixatives Same as: D01087 Acquisition and generation of the data is financially supported in part by CREST/JST. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4]. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4].

   

Phenol

phenol

C6H6O (94.0419)


D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local D000890 - Anti-Infective Agents D002317 - Cardiovascular Agents D004202 - Disinfectants CONFIDENCE standard compound; INTERNAL_ID 225

   

Antiarol

InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H

C9H12O4 (184.0736)


3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes. 3,4,5-Trimethoxyphenol is a natural product found in Diospyros eriantha, Tarenna attenuata, and other organisms with data available. A member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium.

   

Beta-tocopherol

(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

C28H48O2 (416.3654)


beta-Tocopherol is an antioxidant which is synthesized by photosynthetic organisms and plays an important role in human and animal nutrition. beta-Tocopherols can be oxidized in dry CH2Cl2 or CH3CN by one electron to form cation radicals that deprotonate to form the neutral phenoxyl radicals, which are then immediately further oxidized by one electron to the phenoxonium cations (an ECE electrochemical mechanism, where E signifies an electron transfer and C represents a chemical step, with the electrochemical mechanism having been determined by in situ spectroscopic analysis). The phenoxonium cation of beta-tocopherol is stable for several minutes (PMID: 16771430). beta-Tocopherol has been identified in the human placenta (PMID: 32033212). (rel)-β-Tocopherol is a relative configuration of β-Tocopherol.(±)-β-Tocopherol is a lipid-soluble form of vitamin E with antioxidant activity. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1].

   

Dihydroconiferyl alcohol

3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol

C10H14O3 (182.0943)


Dihydroconiferyl alcohol, also known as 3-(4-guaiacyl)propanol or 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dihydroconiferyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroconiferyl alcohol can be found in lettuce and romaine lettuce, which makes dihydroconiferyl alcohol a potential biomarker for the consumption of these food products. Dihydroconiferyl alcohol is a cell division factor that can be found in pring sap of Acer pseudoplatanus L. Dihydroconiferyl alcohol can stimulate growth of soybean callus[1].

   

piceol

InChI=1\C8H8O2\c1-6(9)7-2-4-8(10)5-3-7\h2-5,10H,1H

C8H8O2 (136.0524)


INTERNAL_ID 214; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3089; ORIGINAL_PRECURSOR_SCAN_NO 3087 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3087; ORIGINAL_PRECURSOR_SCAN_NO 3084 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3098; ORIGINAL_PRECURSOR_SCAN_NO 3095 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3092; ORIGINAL_PRECURSOR_SCAN_NO 3090 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3089; ORIGINAL_PRECURSOR_SCAN_NO 3087 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3095; ORIGINAL_PRECURSOR_SCAN_NO 3093 INTERNAL_ID 214; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3092; ORIGINAL_PRECURSOR_SCAN_NO 3090 CONFIDENCE standard compound; INTERNAL_ID 214; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3160; ORIGINAL_PRECURSOR_SCAN_NO 3158 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1]. 4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1].

   

Cardanolmonoene

3-[(8E)-pentadec-8-en-1-yl]phenol

C21H34O (302.261)


Cardanolmonoene is found in cashew nut. Cardanolmonoene is a major constituent of lipids of Anacardium occidentale (cashew nut). It is isolated from fruit of Ginkgo biloba (ginkgo Major constituent of lipids of Anacardium occidentale (cashew nut). Isolated from fruit of Ginkgo biloba (ginkgo). Cardanolmonoene is found in cashew nut, fats and oils, and nuts.

   

Ginkgoic acid

2-hydroxy-6-[(8E)-pentadec-8-en-1-yl]benzoic acid

C22H34O3 (346.2508)


Constituent of Ginkgo biloba (ginkgo) and minor constituent of cashew nut shell. Ginkgoic acid is found in many foods, some of which are ginkgo nuts, nuts, cashew nut, and fats and oils. Ginkgoic acid is found in cashew nut. Ginkgoic acid is a constituent of Ginkgo biloba (ginkgo) and minor constituent of cashew nut shell. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Ginkgolic Acid is a natural compound that inhibits SUMOylation with an IC50 of 3.0 μM in in vitro assay. Ginkgolic Acid is a natural compound that inhibits SUMOylation with an IC50 of 3.0 μM in in vitro assay.

   

2-(10-Heptadecenyl)-6-hydroxybenzoic acid

Ginkgolic acid C17:1, primary pharmaceutical reference standard

C24H38O3 (374.2821)


2-(10-Heptadecenyl)-6-hydroxybenzoic acid is found in fats and oils. 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is isolated from Ginkgo biloba (ginkgo). 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is a natural product found in Knema laurina, Ginkgo biloba, and Spondias mombin with data available. Isolated from Ginkgo biloba (ginkgo). 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is found in fats and oils. Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1]. Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1].

   

Methyl vanillate

InChI=1/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H

C9H10O4 (182.0579)


Methyl vanillate is a member of the class of compounds known as m-methoxybenzoic acids and derivatives. These compounds are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. Methyl vanillate is considered to be a slightly soluble in water acidic compound. Methyl vanillate can be synthesized from vanillic acid. Vanillic acid is a phenolic acid or chlorogenic acid that is an oxidized form of vanillin. Vanillic acid is also an intermediate in the production of vanillin from ferulic acid. It is found in some forms of vanilla and many other plant extracts. It is a flavouring and scent agent that produces a pleasant, creamy odour. Vanillic acid is also found in wine and vinegar. Vanillic acid is a metabolic by-product of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea, and vanilla-flavoured confectionary. Vanillic acid selectively and specifically inhibits 5-nucleotidase activity (PMID:16899266 ). Vanillic acid is also a microbial metabolite found in several bacterial genera including Amycolatopsis, Delftia, and Pseudomonas (PMID:11152072 , 10543794 , 11728709 , 9579070 ). Methyl vanillate has been identified in foods such as cows milk (PMID:4682334) and beer (PMID:20800742). Methyl vanillate is a benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. It is a benzoate ester, a member of phenols and an aromatic ether. It is functionally related to a vanillic acid. Methyl vanillate is a natural product found in Cestrum parqui, Aristolochia elegans, and other organisms with data available. Methyl vanillate is a metabolite found in or produced by Saccharomyces cerevisiae. A benzoate ester that is the methyl ester of vanillic acid. Flavouring compound [Flavornet] Methyl vanillate, one of the ingredients in Oryza sativa Linn., is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. Methyl vanillate, one of the ingredients in Oryza sativa Linn., is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite.

   

Docosahexaenoic acid

Methylparaben, Pharmaceutical Secondary Standard; Certified Reference Material

C8H8O3 (152.0473)


Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. It has a role as a plant metabolite, an antimicrobial food preservative, a neuroprotective agent and an antifungal agent. Methylparaben is used in allergenic testing. Methylparaben is a Standardized Chemical Allergen. The physiologic effect of methylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity. Methylparaben is a natural product found in Zanthoxylum beecheyanum, Rhizophora apiculata, and other organisms with data available. Methylparaben is found in alcoholic beverages. Methylparaben is an antimicrobial agent, preservative, flavouring agent. Methylparaben is a constituent of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben has been shown to exhibit anti-microbial function Methylparaben belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. (A3204). See also: Butylparaben; ethylparaben; methylparaben (component of) ... View More ... Methylparaben, also known as methyl 4-hydroxybenzoate or p-carbomethoxyphenol, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Methylparaben is an antimicrobial agent, preservative, and flavouring agent. methylparaben has been detected, but not quantified, in a few different foods, such as alcoholic beverages, saffrons, and fruits (particularly blueberries). It is also a constituent of cloudberry, yellow passion fruit, white wine, botrytized wine, and Bourbon vanilla. Methylparaben is the most frequently used antimicrobial preservative in cosmetics. A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. Antimicrobial agent, preservative, flavouring agent. Constituent of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben is found in saffron, alcoholic beverages, and fruits. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1]. Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1].

   

Isovanillic

InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate. 3-Hydroxy-4-methoxybenzoic acid is a natural product found in Euphorbia decipiens, Annona purpurea, and other organisms with data available. A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

2-Hydroxy-6-tridecylbenzoic acid

Ginkgolic acid (13:0);Ginkgoneolic Acid;6-Tridecylsalicylic acid

C20H32O3 (320.2351)


2-Hydroxy-6-tridecylbenzoic acid is a hydroxybenzoic acid. It is functionally related to a salicylic acid. 2-Hydroxy-6-tridecylbenzoic acid is a natural product found in Ginkgo biloba and Caulocystis cephalornithos with data available. 2-Hydroxy-6-tridecylbenzoic acid is found in fats and oils. 2-Hydroxy-6-tridecylbenzoic acid is isolated from pistachio shells. 2-Hydroxy-6-tridecylbenzoic acid is isolated from Ginkgo biloba (ginkgo). Isolated from pistachio shells. Isolated from Ginkgo biloba (ginkgo). 2-Hydroxy-6-tridecylbenzoic acid is found in fats and oils and nuts. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Ginkgolic Acid (C13:0) is a natural anticariogenic agent in that it exhibits antimicrobial activity against S. mutans and suppresses the specific virulence factors associated with its cariogenicity. IC50 value: Inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL); reduced 1-day-developed biofilm of S. mutans by 50 \\% or more at low concentration (MBRC (50) = 32 μg/mL). Target: In vitro: Ginkgolic Acid (C13:0) inhibited not only the growth of S. mutans planktonic cells at minimum inhibitory concentration (MIC) of 4 μg/mL and minimum bactericidal concentration (MBC) of 8 μg/mL but also the acid production and adherence to saliva-coated hydroxyapatite of S. mutans at sub-MIC concentration. In addition, this agent was effective in inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL), and it reduced 1-day-developed biofilm of S. mutans by 50 \\% or more at low concentration (MBRC (50) = 32 μg/mL). Furthermore Ginkgolic Acid (C13:0) disrupted biofilm integrity effectively [1]. In vivo: Ginkgolic Acid (C13:0) is a natural anticariogenic agent in that it exhibits antimicrobial activity against S. mutans and suppresses the specific virulence factors associated with its cariogenicity. IC50 value: Inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL); reduced 1-day-developed biofilm of S. mutans by 50 \% or more at low concentration (MBRC (50) = 32 μg/mL). Target: In vitro: Ginkgolic Acid (C13:0) inhibited not only the growth of S. mutans planktonic cells at minimum inhibitory concentration (MIC) of 4 μg/mL and minimum bactericidal concentration (MBC) of 8 μg/mL but also the acid production and adherence to saliva-coated hydroxyapatite of S. mutans at sub-MIC concentration. In addition, this agent was effective in inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL), and it reduced 1-day-developed biofilm of S. mutans by 50 \% or more at low concentration (MBRC (50) = 32 μg/mL). Furthermore Ginkgolic Acid (C13:0) disrupted biofilm integrity effectively [1]. In vivo:

   

(S)-Angelicain

4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-g]isochromen-5-one

C15H16O6 (292.0947)


(S)-Angelicain is found in fats and oils. (S)-Angelicain is a constituent of Angelica archangelica (angelica) (S)-Angelicain is an organic heterotricyclic compound and an oxacycle. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1]. Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].

   

Isomorellic acid

(2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

C33H36O8 (560.241)


Morellic acid is found in fruits. Morellic acid is from Garcinia morella (batuan Isomorellic acid is a member of pyranoxanthones. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1]. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].

   

cis-[8]-Shogaol

4-Dodecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (4E)-

C19H28O3 (304.2038)


cis-[8]-Shogaol is found in ginger. cis-[8]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. [8]-Shogaol is a monomethoxybenzene, an enone and a member of phenols. (8)-Shogaol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). Constituent of grains of paradise (Amomum melegueta) and (Zingiber officinale) [DFC]. [8]-Shogaol is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].

   

4-(4-Hydroxyphenyl)-2-butanone

Dobutamine Hydrochloride Imp. B (EP); Dobutamine Imp. B (EP); 4-(4-Hydroxyphenyl)butan-2-one; Dobutamine Hydrochloride Impurity B; Dobutamine Impurity B

C10H12O2 (164.0837)


Raspberry ketone is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. It has a role as a flavouring agent, a fragrance, a metabolite, a hepatoprotective agent, a cosmetic and an androgen antagonist. It is a member of phenols and a methyl ketone. 4-(4-Hydroxyphenyl)-2-butanone is a natural product found in Rheum officinale, Rheum palmatum, and other organisms with data available. 4-(4-Hydroxyphenyl)-2-butanone is found in fruits. 4-(4-Hydroxyphenyl)-2-butanone is isolated from raspberries (Rubus idaeus), rhubarb (Rheum species), European cranberry (Vaccinium oxycoccus), blackberry, loganberry and redcurrants. 4-(4-Hydroxyphenyl)-2-butanone is an important flavour ingredient. Isolated from raspberries (Rubus idaeus), rhubarb (Rheum subspecies), European cranberry (Vaccinium oxycoccus), blackberry, loganberry and redcurrants. Important flavour ingredient. 4-(4-Hydroxyphenyl)-2-butanone is found in fruits and red raspberry. A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity.

   

Apocynin

InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H

C9H10O3 (166.063)


Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor and a plant metabolite. It is a member of acetophenones, a methyl ketone and an aromatic ketone. Acetovanillone has been used in trials studying the treatment of Bronchial Asthma and Chronic Obstructive Pulmonary Disease. Acetovanillone is a natural product found in Iris tectorum, Apocynum cannabinum, and other organisms with data available. Acetovanillone is a metabolite found in or produced by Saccharomyces cerevisiae. An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5]. Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5]. Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5].

   

8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one

8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one, 9CI

C10H8O4 (192.0423)


8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is a hydroxycoumarin. 8-Hydroxy-7-methoxycoumarin is a natural product found in Ayapana triplinervis, Artemisia dracunculoides, and other organisms with data available. 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is found in green vegetables. 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is from Artemisia dracunculoides (Russian tarragon

   

2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol

(+)-erythro-(7R,8S)-delta8'-4,7-dihydroxy-3,3',5'-trimethoxy-8-O-4'-neolignan

C21H26O6 (374.1729)


2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is from seed kernels of Myristica fragrans (nutmeg). From seed kernels of Myristica fragrans (nutmeg). 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is a phenylpropanoid.

   

1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone

9H-XANTHEN-9-ONE, 1-HYDROXY-3,6,7-TRIMETHOXY-2,8-BIS(3-METHYL-2-BUTEN-1-YL)-

C26H30O6 (438.2042)


1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone is a member of xanthones. 3,6-Dimethylmangostin is a natural product found in Garcinia cowa, Cratoxylum arborescens, and Garcinia mangostana with data available. 1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2,8-diprenylxanthone is found in fruits. Fuscaxanthone C is an xanthone isolated from the stem bark of Garcinia fusca[1]. Fuscaxanthone C is an xanthone isolated from the stem bark of Garcinia fusca[1].

   

Dihydrocapsiate

nonanoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester

C18H28O4 (308.1987)


Dihydrocapsiate is a member of methoxybenzenes and a member of phenols. Dihydrocapsiate is under investigation in clinical trial NCT00999297 (Effect of 4-week Dihydrocapsiate Ingestion on Resting Metabolic Rate). Constituent of fruits of Capsicum annuum. Dihydrocapsiate is found in many foods, some of which are orange bell pepper, herbs and spices, fruits, and italian sweet red pepper. Dihydrocapsiate is found in fruits. Dihydrocapsiate is a constituent of fruits of Capsicum annuum Dihydrocapsiate, as a compound of capsinoid family, is an orally active TRPV1 agonist. Dihydrocapsiate can be used for the research of metabolism disease[1].

   

Mequinol

4-Methoxybenzyl S-(4,6-dimethylpyrimidin-2-yl)thiocarbonate

C7H8O2 (124.0524)


Hydroquinone monomethyl ether appears as pink crystals or white waxy solid. (NTP, 1992) P-methoxyphenol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite. Mequinol is a phenol used in various applications. It is used as an inhibitor for acrylic monomers and acrylonitirles, as a stabilizer for chlorinated hydrocarbons and ethyl cellulose, as an ultraviolet inhibitor, as a chemical intermediate in the manufacture of antioxidants, pharmaceuticals, plasticizers, and dyestuffs. It is found as an active ingredient in topical drugs used for skin depigmentation indicated for the treatment of solar lentigines. Mequinol is a Skin Lightening Agent. The mechanism of action of mequinol is as a Melanin Synthesis Inhibitor. The physiologic effect of mequinol is by means of Depigmenting Activity. 4-Methoxyphenol is a natural product found in Origanum majorana, Ascia monuste, and other organisms with data available. Mequinol is a synthetic derivate of hydroquinone and depigmenting agent. Although the exact mechanism of the depigmenting effects of mequinol remains unclear, it may exert its effect by oxidation of tyrosinase to cytotoxic products in melanocytes. Mequinol may also act by competitively inhibiting the formation of melanin precursors. See also: Anoxomer (monomer of). Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. Mequinol is found in sweet marjoram and anise. Mequinol is found in anise. Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. (Wikipedia D020011 - Protective Agents > D000975 - Antioxidants A natural product found in Cordyceps sinensis. C78284 - Agent Affecting Integumentary System D000970 - Antineoplastic Agents D - Dermatologicals Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1] Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1]

   

[10]-Shogaol

4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (4E)-

C21H32O3 (332.2351)


[10]-Shogaol is found in ginger. [10]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. [10]-Shogaol is a monomethoxybenzene, a member of phenols and an enone. [10]-Shogaol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). Isolated from ginger (Zingiber officinale) [DFC]. [10]-Shogaol is found in ginger. [10]-Shogaol is an antioxidant from Zingiber officinale for human skin cell growth and a migration enhancer. [10]-Shogaol inhibits COX-2 with an IC50 of 7.5 μM and has antiproliferation activity[1][2][3]. [10]-Shogaol is an antioxidant from Zingiber officinale for human skin cell growth and a migration enhancer. [10]-Shogaol inhibits COX-2 with an IC50 of 7.5 μM and has antiproliferation activity[1][2][3].

   

Homodihydrocapsaicin

N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide, 9CI

C19H31NO3 (321.2304)


Homodihydrocapsaicin is a member of methoxybenzenes and a member of phenols. Homodihydrocapsaicin is a natural product found in Capsicum annuum var. annuum, Capsicum annuum, and Phylica pubescens with data available. See also: Capsicum (part of); Paprika (part of); Habanero (part of) ... View More ... Isolated from the pungent principle of red pepper (Capsicum annuum). Homodihydrocapsaicin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, pepper (c. frutescens), and green bell pepper. Homodihydrocapsaicin is found in herbs and spices. Homodihydrocapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1]. Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1].

   

Bancroftinone

Ethanone, 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)-

C11H14O4 (210.0892)


Bancroftinone is found in herbs and spices. Bancroftinone is isolated from clove oil. Isolated from clove oil. Bancroftinone is found in herbs and spices. Bancroftinone is an aromatic ketone. Bancroftinone, a natural product, belongs to the class of alkyl-phenylketones[1]. Bancroftinone, a natural product, belongs to the class of alkyl-phenylketones[1].

   

3,5-Dimethoxyphenol

InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H

C8H10O3 (154.063)


3,5-dimethoxyphenol, also known as phloroglucinol dimethyl ether or taxicatigenin, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 3,5-dimethoxyphenol is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,5-dimethoxyphenol can be found in a number of food items such as half-highbush blueberry, pot marjoram, chestnut, and chervil, which makes 3,5-dimethoxyphenol a potential biomarker for the consumption of these food products. 3,5-dimethoxyphenol can be found primarily in urine. 3,5-Dimethoxyphenol is a toxin metabolite that can be found in human consuming yew (Taxus baccata) leaves. Autopsy findings of fatal intoxication with yew are nonspecific. A presence of plant residues in the digestive tract can signalize yew intoxication. If yew decoction is consumed, plant residues are not found. In such a case, the intoxication can be signalized by the presence of 3,5-dimethoxyphenol in biological material (PMID: 20942244). 3,5-Dimethoxyphenol is a member of methoxybenzenes and a member of phenols. 3,5-Dimethoxyphenol is a natural product found in Streptomyces antioxidans and Taxus baccata with data available. 3,5-Dimethoxyphenol is a toxin metabolite, found in human consuming yew leaves[1]. 3,5-Dimethoxyphenol is a toxin metabolite, found in human consuming yew leaves[1].

   

4-Hydroxybenzylamine

4-hydroxybenzylamine, sulfate(2:1) salt

C7H9NO (123.0684)


4-Hydroxybenzylamine is an aromatic amine. 4-Hydroxybenzylamine is a natural product found in Sinapis arvensis, Fagopyrum esculentum, and other organisms with data available. 4-Hydroxybenzylamine is found in brassicas. 4-Hydroxybenzylamine is isolated from seeds of Sinapis alba (white mustard 4-Hydroxybenzylamine is an endogenous metabolite. 4-Hydroxybenzylamine is an endogenous metabolite.

   

5-Methoxysalicylic acid

InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is also known as 2-hydroxy-5-methoxybenzoate or 5-methoxy-2-hydroxybenzoate and belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. Outside of the human body, 5-Methoxysalicylic acid has been detected, but not quantified in herbs and spices and tea. 5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is a natural product found in Thalictrum fargesii, Amycolatopsis, and Conyza bonariensis with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. Isolated from Primula veris (cowslip) 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].

   

Glycyltyrosine

Melanin synthesized from Gly-Tyr substrate catalyzed by tyrosinase for 3 hrs, HCl insoluble portion (precipitate)

C11H14N2O4 (238.0954)


Glycyltyrosine is a dipeptide composed of glycine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Gly-Tyr is a dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a glycine and a L-tyrosine. A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. Glycyl-L-tyrosine is a dipeptide containing glycine and L-tyrosine[1].

   

4-(Butoxymethyl)-2-methoxyphenol

4-butoxy-2-methoxy-phenol;4-(Butoxymethyl)-2-methoxyphenol

C12H18O3 (210.1256)


Vanillyl butyl ether is an ether of monohydroxybenzoic acid. It is added to food products as a flavoring agent. It is also present in cosmetics and personal care products as a fragrance ingredient, oral care agent, hair conditioning agent, and warming or cooling agent. 4-(Butoxymethyl)-2-methoxyphenol is a cooling agent used in confectionery etc. Cooling agent used in confectionery etc. Vanillyl butyl ether is a major contributor to the characteristic flavor and fragrance of vanilla. Vanillyl butyl ether is one of the eco-friendly and nontoxic substances. Vanillyl butyl ether has been proposed as a mild warming agent providing a warming sensation and enhancing the blood circulation[1].

   

6-Ethyl-o-cresol

1-N-(3,5-DIFLUOROPHENYL)-PIPERIDIN-4-ONE

C9H12O (136.0888)


6-Ethyl-o-cresol belongs to the family of Ortho Cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2]. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].

   

2'-Hydroxyacetophenone

1-(2-Hydroxyphenyl)ethanone; Paracetamol Imp. I (EP); 2-Hydroxyacetophenone; Paracetamol Impurity I

C8H8O2 (136.0524)


2-Hydroxyacetophenone, also known as 2-acetylphenol or 2-hydroxyacetylbenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Hydroxyacetophenone is a sweet, hawthorne, and herbal tasting compound. 2-hydroxyacetophenone has been detected, but not quantified, in several different foods, such as chinese cinnamons, tea, coffee and coffee products, alcoholic beverages, and garden tomato. 2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols. 2-Hydroxyacetophenone is a natural product found in Castanopsis cuspidata, Mangifera indica, and other organisms with data available. Present in tomato, cassia (Cinnamomum cassia), fried beef, rum, whiskey, cocoa, coffee and black tea. Flavouring ingredient. 2-Hydroxyacetophenone is found in many foods, some of which are garden tomato, tea, chinese cinnamon, and herbs and spices. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.

   

(7'R)-(+)-Lyoniresinol 9'-glucoside

2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O13 (582.2312)


(7R)-(+)-Lyoniresinol 9-glucoside is found in fruits. (7R)-(+)-Lyoniresinol 9-glucoside is a constituent of the bark of Aegle marmelos (bael fruit). Constituent of the bark of Aegle marmelos (bael fruit). (7R)-(+)-Lyoniresinol 9-glucoside is found in fruits.

   

[6]-Gingerdiol 3,5-diacetate

3-(Acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl acetic acid

C21H32O6 (380.2199)


[6]-Gingerdiol 3,5-diacetate is found in ginger. [6]-Gingerdiol 3,5-diacetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 3,5-diacetate is found in herbs and spices and ginger. Diacetoxy-6-gingerdiol is a diarylheptanoid isolated from the dichloromethane extract of rhizomes of ginger (Zingiber officinale Roscoe)[1].

   

Longistylin A

3-methoxy-2-(3-methylbut-2-en-1-yl)-5-[(Z)-2-phenylethenyl]phenol

C20H22O2 (294.162)


Longistylin A is found in pulses. Longistylin A is isolated from leaves of Cajanus cajan (pigeon pea). Isolated from leaves of Cajanus cajan (pigeon pea). Longistylin A is found in pulses.

   

Rubrofusarin 6-gentiobioside

5-hydroxy-8-methoxy-2-methyl-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[g]chromen-4-one

C27H32O15 (596.1741)


Rubrofusarin 6-gentiobioside is found in coffee and coffee products. Rubrofusarin 6-gentiobioside is isolated from seeds of Cassia tora (charota). Isolated from seeds of Cassia tora (charota). Rubrofusarin 6-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses. Rubrofusarin gentiobioside is isolated from the?seeds?of Cassia?tora?L. Rubrofusarin gentiobioside has?a radical?scavenging?effect[1]. Rubrofusarin gentiobioside is isolated from the?seeds?of Cassia?tora?L. Rubrofusarin gentiobioside has?a radical?scavenging?effect[1].

   

Torachrysone 8-glucoside

1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one

C20H24O9 (408.142)


Torachrysone 8-glucoside is found in garden rhubarb. Torachrysone 8-glucoside is isolated from Rhei rhizoma. Isolated from Rhei rhizoma. Torachrysone 8-glucoside is found in green vegetables and garden rhubarb. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].

   

[10]-Dehydrogingerdione

(1Z)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione

C21H30O4 (346.2144)


[10]-Dehydrogingerdione is found in herbs and spices. [10]-Dehydrogingerdione is from Zingiber officinale (ginger

   

[6]-Dehydrogingerdione

(1Z)-1-(4-hydroxy-3-methoxyphenyl)dec-1-ene-3,5-dione

C17H22O4 (290.1518)


[6]-Dehydrogingerdione is found in herbs and spices. [6]-Dehydrogingerdione is isolated from Zingiber officinale (ginger

   

Isorubrofusarin 10-gentiobioside

5-hydroxy-8-methoxy-2-methyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[h]chromen-4-one

C27H32O15 (596.1741)


Isorubrofusarin 10-gentiobioside is found in coffee and coffee products. Isorubrofusarin 10-gentiobioside is a constituent of the seeds of Cassia tora (charota) Constituent of the seeds of Cassia tora (charota). Isorubrofusarin 10-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses.

   

Cassiaside B

5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one

C26H30O14 (566.1635)


Isolated from seeds of Cassia tora (charota). Cassiaside B is found in coffee and coffee products, herbs and spices, and pulses. Cassiaside B is found in coffee and coffee products. Cassiaside B is isolated from seeds of Cassia tora (charota).

   

Isovanillin

InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H

C8H8O3 (152.0473)


Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. It has a role as an EC 1.2.3.1 (aldehyde oxidase) inhibitor, a plant metabolite, an antidiarrhoeal drug, an antifungal agent, a HIV protease inhibitor and an animal metabolite. It is a member of phenols, a monomethoxybenzene and a member of benzaldehydes. Isovanillin is a natural product found in Ficus erecta var. beecheyana, Sphallerocarpus gracilis, and other organisms with data available. A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. D004791 - Enzyme Inhibitors Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3].

   

NCIOpen2_001552

2-Hydroxy-4-methoxybenzoic acid, 99\\%

C8H8O4 (168.0423)


4-methoxysalicylic acid is a methoxybenzoic acid. 4-Methoxysalicylic acid is a natural product found in Haplophyllum thesioides, Calophyllum polyanthum, and other organisms with data available. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.

   

6-Methoxysalicylsaure

InChI=1/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0423)


6-Methoxysalicylic acid is a methoxybenzoic acid. 2-Hydroxy-6-methoxybenzoic acid is a natural product found in Colchicum kurdicum, Colchicum manissadjianii, and other organisms with data available. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].

   

4-Hydroxydehydrokawain

2H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-

C14H12O4 (244.0736)


6-[(e)-2-(4-Hydroxyphenyl)ethenyl]-4-methoxypyran-2-one is a natural product found in Alpinia blepharocalyx, Anaphalis sinica, and Alpinia roxburghii with data available.

   

Bakuchiol

4-(3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl)phenol

C18H24O (256.1827)


Bakuchiol is under investigation in clinical trial NCT03112863 (Comparison of the Cosmetic Effects of Bakuchiol and Retinol). Bakuchiol is a natural product found in Otholobium pubescens, Otholobium glandulosum, and other organisms with data available. See also: Cullen corylifolium fruit (part of). Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects. Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects.

   

Sakakin

(3R,4S,5S,6R)-2-(3-Hydroxy-5-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C13H18O7 (286.1052)


Orcinol glucoside is a glycoside. Orcinol glucoside is a natural product found in Helichrysum arenarium, Curculigo orchioides, and Molineria capitulata with data available. Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2]. Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2].

   

Homoarbutin

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol

C13H18O7 (286.1052)


Homoarbutin is a natural product found in Pyrola rotundifolia, Pyrola japonica, and Pyrola elliptica with data available.

   

Eriosematin

5-Hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)pyrano[3,2-g]chromen-4(8H)-one

C19H20O4 (312.1362)


Eriosematin is a natural product found in Eriosema tuberosum with data available.

   

Phenol

Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-

C18H22O5 (318.1467)


Erianin is a natural product found in Dendrobium thyrsiflorum and Dendrobium chrysotoxum with data available. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis.

   

Aristolochic acid C

10-HYDROXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID

C16H9NO7 (327.0379)


Aristolochic acid C is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid C is a natural product found in Aristolochia kaempferi, Aristolochia kankauensis, and other organisms with data available. An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. Annotation level-1 Aristolochic acid C is a derivative of Aristolochic acid. Aristolochic acid is a phospholipase A2 (PLA2) inhibitor, which disrupts cortical microtubule arrays and root growth in Arabidopsis[1].

   

Tinnevellin glucoside

1-(1-Hydroxy-8-methoxy-3-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)naphthalen-2-yl)ethanone

C20H24O9 (408.142)


Tinnevellin glucoside is a natural product found in Senna alexandrina with data available.

   

MulberrosideC

(2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

C24H26O9 (458.1577)


Mulberroside C is a natural product found in Morus lhou, Morus wittiorum, and Morus alba with data available. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2]. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2].

   

Curculigoside_A

(5-Hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoate

C22H26O11 (466.1475)


Curculigoside is a natural product found in Curculigo pilosa, Curculigo sinensis, and other organisms with data available. Curculigoside is the main saponin in C. orchioide, exerts significant antioxidant, anti-osteoporosis, antidepressant and neuroprotection effects. Curculigoside possesses significant anti-arthritic effects in vivo and in vitro via regulation of the JAK/STAT/NF-κB signaling pathway[1]. Curculigoside is the main saponin in C. orchioide, exerts significant antioxidant, anti-osteoporosis, antidepressant and neuroprotection effects. Curculigoside possesses significant anti-arthritic effects in vivo and in vitro via regulation of the JAK/STAT/NF-κB signaling pathway[1].

   

Cynanchagenin

[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate

C28H36O8 (500.241)


Qingyangshengenin is a corticosteroid hormone. Qingyanshengenin (NSC 379666; compound 2), a pregnane glycoside, is a C21 steroidal aglycone isolated from the root of Cynanchumot ophyllum (Asclepiadaceae). Qingyanshengenin has anti-cancer activity[1]. Qingyanshengenin (NSC 379666; compound 2), a pregnane glycoside, is a C21 steroidal aglycone isolated from the root of Cynanchumot ophyllum (Asclepiadaceae). Qingyanshengenin has anti-cancer activity[1].

   

MulberrosideF

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-benzofuran-6-yl]oxy]oxane-3,4,5-triol

C26H30O14 (566.1635)


Mulberroside F is a member of benzofurans. Mulberroside F is a natural product found in Morus alba with data available.

   

Gambogic_acid

2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1.alpha.,1(Z),3a.beta.,5.alpha.,11.beta.,14aS*]]-

C38H44O8 (628.3036)


beta-Guttiferin is a natural product found in Garcinia hanburyi with data available. Gambogic Acid (Beta-Guttiferrin) is derived from the gamboges resin of the tree Garcinia hanburyi. Gambogic Acid (Beta-Guttiferrin) inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50s of 1.47 μM, 1.21 μM, 2.02 μM, 0.66 μM, 1.06 μM and 0.79 μM. Gambogic Acid (Beta-Guttiferrin) is derived from the gamboges resin of the tree Garcinia hanburyi. Gambogic Acid (Beta-Guttiferrin) inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50s of 1.47 μM, 1.21 μM, 2.02 μM, 0.66 μM, 1.06 μM and 0.79 μM.

   

gambogenic acid

(E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid

C38H46O9 (646.3142)


   

Otophylloside A

[(3S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2S,4S,5R,6R)-5-[(2R,4S,5R,6R)-5-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate

C49H72O17 (932.4769)


Qingyangshengenin A, a C-21 steroidal glycoside isolated from the roots of Cynanchum otophyllum Schneid, has antiepileptic activity[1].

   

Xanthoxylin

2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark ,6 inverted exclamation mark -dimethoxyacetophenone

C10H12O4 (196.0736)


obtained from Zanthoxylum piperitum (Japanese pepper tree) and Sapium sebiferum (Chinese tallowtree). Xanthoxylin is found in many foods, some of which are herbs and spices, german camomile, fats and oils, and pomegranate. Xanthoxylin is a carboxylic ester. It is functionally related to a phloroglucinol. Xanthoxylin is a natural product found in Euphorbia portulacoides, Pulicaria incisa, and other organisms with data available. Xanthoxylin is found in fats and oils. Xanthoxylin is obtained from Zanthoxylum piperitum (Japanese pepper tree) and Sapium sebiferum (Chinese tallowtree Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans. Xanthoxylin (Xanthoxyline) has antifungal and antispasmodic activities[1][2]. Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans. Xanthoxylin (Xanthoxyline) has antifungal and antispasmodic activities[1][2].

   

Orcinol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C19H28O12 (448.1581)


Orcinol gentiobioside is a natural product found in Semecarpus anacardium and Curculigo orchioides with data available. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1]. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1].

   

Deoxyrhapontin

(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H24O8 (404.1471)


Desoxyrhaponticin is a stilbenoid and a glycoside. Desoxyrhaponticin is a natural product found in Rheum palmatum, Rheum undulatum, and other organisms with data available. Desoxyrhaponticin is a kind of oral drug that inhibits effective fatty acid synthesis (FASN), and has a fatal effect on cancer cells. Desoxyrhaponticin has the ability to inhibit glucose uptake, improve oral glucose tolerance as a diabetic agent, and possess anti-diabetic effects[1][2]. Desoxyrhaponticin is a stilbene glycoside from the Tibetan nutritional food Rheum tanguticum Maxim. Desoxyrhaponticin is a Fatty acid synthase (FASN) inhibitor, and has apoptotic effect on human cancer cells[1]. Desoxyrhaponticin is a stilbene glycoside from the Tibetan nutritional food Rheum tanguticum Maxim. Desoxyrhaponticin is a Fatty acid synthase (FASN) inhibitor, and has apoptotic effect on human cancer cells[1].

   

Batatasin V

Phenol, 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-

C17H20O4 (288.1362)


2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol is a natural product found in Dioscorea floribunda, Empetrum nigrum, and Dioscorea preussii with data available.

   

Dehydropodophyllotoxin

9-Hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one

C22H18O8 (410.1002)


Dehydropodophyllotoxin is a natural product found in Hernandia ovigera, Juniperus sabina, and other organisms with data available.

   

Cleomiscosin B

(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

C20H18O8 (386.1002)


Cleomiscosin B is a natural product found in Diatenopteryx sorbifolia, Erycibe obtusifolia, and other organisms with data available.

   

2,3,4-Trihydroxy-3,5-dimethoxypropiophene

2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone;

C11H14O6 (242.079)


   

7-Hydroxychromone

7-hydroxy-4H-chromen-4-one

C9H6O3 (162.0317)


7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM. 7-Hydroxychromone is a Src kinase inhibitor with an IC50 of <300 μM.

   

Hemiphroside A

[5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C31H40O16 (668.2316)


   

Canniprene

Phenol, 3-(2-(3-hydroxy-5-methoxyphenyl)ethyl)-6-methoxy-2-(3-methyl-2-buten-1-yl)-

C21H26O4 (342.1831)


Canniprene is a natural product found in Cannabis sativa with data available.

   

delta1,3-Hydroxybakuchiol

delta1,3-Hydroxybakuchiol

C18H24O2 (272.1776)


   

Homaloside D

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

C27H28O12 (544.1581)


   

Methyl isovanillate

methyl 3-hydroxy-4-methoxy-benzoate;Methyl 3-Hydroxy-4-methoxybenzoate

C9H10O4 (182.0579)


Methyl 3-hydroxy-4-methoxybenzoate is a natural product found in Aristolochia kaempferi, Rhaponticoides africana, and other organisms with data available. Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1]. Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1].

   

Diffractaic acid

4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid

C20H22O7 (374.1365)


Diffractaic acid, a major constituent of U. longissimi, acts as an effective proapoptotic agent in various disorders research[1]. Diffractaic acid is the analgesic and antipyretic component of Usnea diffracta[2]. Diffractaic acid, a major constituent of U. longissimi, acts as an effective proapoptotic agent in various disorders research[1]. Diffractaic acid is the analgesic and antipyretic component of Usnea diffracta[2].

   

Euparin

1-[6-hydroxy-2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethan-1-one

C13H12O3 (216.0786)


Euparin is a member of benzofurans. It has a role as a metabolite. Euparin is a natural product found in Eupatorium cannabinum, Liatris acidota, and other organisms with data available. A natural product found in Eupatorium cannabinum subspecies asiaticum.

   

Salirepin

(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C13H18O8 (302.1002)


Salirepin is a glycoside. Salirepin is a natural product found in Itoa orientalis and Idesia polycarpa with data available.

   

Dihydromollugin

Methyl 6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5-carboxylate

C17H18O4 (286.1205)


Dihydromollugin is a natural product found in Rubia cordifolia with data available.

   

2,3-Dihydro-12,13-dihydroxyeuparin

1-[2-(1,2-dihydroxypropan-2-yl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one

C13H16O5 (252.0998)


   

Bryonamide B

Benzamide, 4-hydroxy-N-(2-hydroxyethyl)-3-methoxy-

C10H13NO4 (211.0845)


   

Palvanil

Hexadecanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-

C24H41NO3 (391.3086)


   

Balanophonin

(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylaldehyde

C20H20O6 (356.126)


(+)-Balanophonin is a natural product found in Balanophora japonica, Catunaregam spinosa, and other organisms with data available. Balanophonin is a natural product found in Lonicera insularis, Carya cathayensis, and other organisms with data available.

   

Agrostophyllidin

Agrostophyllidin

C17H16O4 (284.1049)


   

gamma-Tocotrienol

2,7,8-TRIMETHYL-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-O CTAMETHYL-3,7,11,15,19,23,27,31-TRITRIACONTAOCTAENYL]-6-CHROMANOL

C28H42O2 (410.3185)


gamma-Tocotrienol, also known as 7,8-dimethyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, gamma-tocotrienol is considered to be a quinone lipid molecule. gamma-Tocotrienol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. gamma-Tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. gamma-Tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. Gamma-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. It has a role as an antioxidant, an antineoplastic agent, a plant metabolite, a radiation protective agent, an apoptosis inducer and a hepatoprotective agent. It is a tocotrienol and a vitamin E. gamma-Tocotrienol is a natural product found in Amaranthus cruentus, Triadica sebifera, and other organisms with data available. A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. Constituent of palm oil. Nutriceutical with anticancer props. and a positive influence on the blood lipid profile. gamma-Tocotrienol is found in many foods, some of which are rye, corn, rosemary, and common grape. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3]. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3].

   

Oliver

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C40H58O4 (602.4335)


Gamma-Oryzanol (TN) is a triterpenoid. gamma-Oryzanol is a natural product found in Krameria bicolor, Krameria grayi, and other organisms with data available. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent Cycloartenyl ferulate (Cycloartenol ferulate) is one of the typical triterpene alcohols and possesses several biological activities including anti-oxidative activity, antiallergic activity, anti-inflammatory and anticancer activities[1]. γ-Oryzanol is a potent DNA methyltransferases (DNMTs) inhibitor in the striatum of mice. γ-Oryzanol significantly inhibits the activities of DNMT1 (IC50=3.2 μM), DNMT3a (IC50=22.3 μM).

   

AI3-28646

2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark -methylacetophenone

C9H10O2 (150.0681)


2-Hydroxy-4-methylacetophenone is a natural product found in Angelica pubescens and Eupatorium fortunei with data available. 2'-Hydroxy-4'-methylacetophenone, a phenolic compound isolated from Angelicae koreana roots possesses acaricidal property[1]. It could be used in the preparation of 4’-methyl-2’-[(p-tolylsulfonyl) oxy] acetophenone[2]. 2'-Hydroxy-4'-methylacetophenone, a phenolic compound isolated from Angelicae koreana roots possesses acaricidal property[1]. It could be used in the preparation of 4’-methyl-2’-[(p-tolylsulfonyl) oxy] acetophenone[2].

   

2-Hydroxybenzylamine

2-hydroxybenzylamine, (2-hydroxyphenyl)methylamine

C7H9NO (123.0684)


2-(aminomethyl)phenol is under investigation in clinical trial NCT03556319 (2-HOBA: Multiple Dosing Study in Older Adults). 2-(Aminomethyl)phenol is a natural product found in Fagopyrum esculentum and Reseda odorata with data available. 2-(Aminomethyl)phenol (2-Hydroxybenzylamine), a selective dicarbonyl scavenger, is an antioxidant and scavanger of free radicals and isolevuglandins (IsoLGs). 2-(Aminomethyl)phenol can be used in the research of inflammation and cardiovascular disease, such as atherosclerosis, early recurrence of atrial fibrillation (AF) and arrhythmias[1][2]. 2-(Aminomethyl)phenol (2-Hydroxybenzylamine), a selective dicarbonyl scavenger, is an antioxidant and scavanger of free radicals and isolevuglandins (IsoLGs). 2-(Aminomethyl)phenol can be used in the research of inflammation and cardiovascular disease, such as atherosclerosis, early recurrence of atrial fibrillation (AF) and arrhythmias[1][2].

   

D-arbutin

4-(Tetrahydro-2H-pyran-2-yloxy)phenol; 4-Hydroxyphenyl tetrahydropyranyl Ether; 4-[(2-Tetrahydropyranyl)oxy]phenol

C11H14O3 (194.0943)


Deoxyarbutin can effectively inhibit tyrosinase activity and melanin synthesis, thereby achieving significant and lasting whitening effects, and has a strong antioxidant effect. Deoxyarbutin can effectively inhibit tyrosinase activity and melanin synthesis, thereby achieving significant and lasting whitening effects, and has a strong antioxidant effect.

   

Benzyl salicylate

Benzoic acid, 2-hydroxy-, phenylmethyl ester

C14H12O3 (228.0786)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4375; ORIGINAL_PRECURSOR_SCAN_NO 4373 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4396; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4398; ORIGINAL_PRECURSOR_SCAN_NO 4397 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9606 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9614; ORIGINAL_PRECURSOR_SCAN_NO 9611 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9635 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9641; ORIGINAL_PRECURSOR_SCAN_NO 9638 CONFIDENCE standard compound; INTERNAL_ID 962; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9646; ORIGINAL_PRECURSOR_SCAN_NO 9641 Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber. Benzyl salicylate?is a salicylic acid benzyl ester. It can be used as a fragrance additive or UV light absorber.

   

dracorhodin

7-hydroxy-5-methoxy-6-methyl-2-phenyl-1-benzopyrylium, monoperchlorate

C17H15ClO7 (366.0506)


Dracorhodin perchlorate (Dracohodin perochlorate) is a natural product extracted from a natural medicine Dragon's blood. Dracorhodin perchlorate inhibits cell proliferation and induces cell cycle arrest and apoptosis[1][2]. Dracorhodin perchlorate (Dracohodin perochlorate) is a natural product extracted from a natural medicine Dragon's blood. Dracorhodin perchlorate inhibits cell proliferation and induces cell cycle arrest and apoptosis[1][2].

   

2-((1R,2R)-2-Formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-isopropylbenzaldehyde

2-[(1R,2R)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxy-5-(propan-2-yl)benzaldehyde

C20H28O3 (316.2038)


   

Triptonodiol

(1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one

C21H30O4 (346.2144)


Triptonodiol is a natural product found in Tripterygium wilfordii with data available.

   

HomocapsaicinII

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

C19H29NO3 (319.2147)


Homocapsaicin II is a natural product found in Capsicum annuum with data available.

   

Cyclobisdemethoxycurcumin

(E)-2-(4-Hydroxyphenyl)-6-(4-hydroxystyryl)-2,3-dihydro-4H-pyran-4-one

C19H16O4 (308.1049)


   

aristolochic D

10-HYDROXY-8-METHOXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID

C17H11NO8 (357.0485)


Aristolochic acid D is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid d is a natural product found in Aristolochia kaempferi, Aristolochia mollissima, and Aristolochia heterophylla with data available. An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.

   

3,3-Di-O-MethylellagicAcid4-Glucoside

6-hydroxy-7,14-dimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C22H20O13 (492.0904)


3,3-Di-O-Methylellagic Acid 4-Glucoside is a natural product found in Dipentodon sinicus, Tamarix nilotica, and other organisms with data available.

   

7-Hydroxyaristolochate A

7-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

C17H11NO8 (357.0485)


   

2-Hydroxy-6-pentadecylbenzoic acid

6-(8(Z),11(Z),14-pentadecatrienyl)salicylic acid

C22H36O3 (348.2664)


Anacardic acid is a hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. It has a role as an EC 2.3.1.48 (histone acetyltransferase) inhibitor, an apoptosis inducer, a neuroprotective agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent, an antibacterial agent, an anti-inflammatory agent and a plant metabolite. It is a hydroxybenzoic acid and a hydroxy monocarboxylic acid. It is functionally related to a salicylic acid. Anacardic acid is a natural product found in Amphipterygium adstringens, Knema elegans, and other organisms with data available. 2-Hydroxy-6-pentadecylbenzoic acid is found in cashew nut. Synthesised by immature seeds of Ginkgo biloba (ginkgo).Chemically, anacardic acid is a mixture of several closely related organic compounds. Each consists of a salicylic acid substituted with an alkyl chain that has 15 or 17 carbon atoms; anacardic acid is a mixture of saturated and unsaturated molecules. The exact mixture depends on the species of the plant and the major component is C5:3 all-Z. (Wikipedia A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Synthesised by immature seeds of Ginkgo biloba (ginkgo) Anacardic Acid, extracted from cashew nut shell liquid, is a histone acetyltransferase inhibitor, inhibits HAT activity of p300 and PCAF, with IC50s of ~8.5 μM and ~5 μM, respectively. Anacardic Acid, extracted from cashew nut shell liquid, is a histone acetyltransferase inhibitor, inhibits HAT activity of p300 and PCAF, with IC50s of ~8.5 μM and ~5 μM, respectively.

   

4-Hydroxyphenethylanisate

Benzoic acid, 4-methoxy-, 2-(4-hydroxyphenyl)ethyl ester

C16H16O4 (272.1049)


4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester is a methoxybenzoic acid. 2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate is a natural product found in Euphorbia micractina, Hansenia forbesii, and other organisms with data available.

   

(-)-DCA

4-{(2R,3S)-3-(hydroxymethyl)-5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenol

C20H22O6 (358.1416)


(-)-dehydrodiconiferyl alcohol is a dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora. It has a role as a plant metabolite. It is an enantiomer of a (+)-dehydrodiconiferyl alcohol. (-)-Dehydrodiconiferyl Alcohol is a natural product found in Campylotropis hirtella, Kadsura coccinea, and other organisms with data available. A dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora.

   

M22UI268J1

beta-Hydroxypropiovanillone; omega-Hydroxypropioguaiacone

C10H12O4 (196.0736)


beta-Hydroxypropiovanillone is a natural product found in Microtropis japonica, Euterpe oleracea, and other organisms with data available. See also: Acai fruit pulp (part of).

   

Alpha-Arbutin

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

C12H16O7 (272.0896)


Alpha-Arbutin is a glycoside. alpha-Arbutin is a natural product found in Rhodiola chrysanthemifolia, Rhodiola sacra α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1].

   

MeHPLA

2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid methyl ester

C10H12O4 (196.0736)


   

LCIFXEQPXQVBGL-UHFFFAOYSA-N

Methyl 3,4-O-diMethylGallate; Methyl 3,4-dimethoxy-5-hydroxybenzoate

C10H12O5 (212.0685)


Methyl 3-hydroxy-4,5-dimethoxybenzoate is a gallic acid derivant isolated from myricaria Laxiflora. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows obvious antimicrobial activities. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows fairly active for oxidation resistance in the presence of H2O2[1].

   

JunipediolA

2-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

C10H14O4 (198.0892)


Junipediol A is a natural product found in Saussurea medusa, Peucedanum japonicum, and Juniperus phoenicea with data available.

   

Isomaglone

1-Propanone, 1-[4-[2-hydroxy-5-(2-propenyl)phenoxy]phenyl]- (9CI); 1-[4-[2-Hydroxy-5-(2-propen-1-yl)phenoxy]phenyl]-1-propanone

C18H18O3 (282.1256)


Isomagnolone is a natural product found in Illicium simonsii with data available.

   

Dihydropinosylvinmethylether

InChI=1/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H

C15H16O2 (228.115)


Phenol, 3-methoxy-5-(2-phenylethyl)- is a natural product found in Pinus flexilis, Pinus balfouriana, and other organisms with data available.

   

coniferyl methyl ether

2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol

C11H14O3 (194.0943)


2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol is a natural product found in Ligusticum striatum, Aeschynanthus bracteatus, and Ligusticum chuanxiong with data available.

   

hexacosylferulate

Hexacosyl trans-ferulate; n-Hexacosyl trans-ferulate; n-Hexacosyl trans-ferulate

C36H62O4 (558.4648)


Hexacosyl (E)-ferulate is a natural product found in Cryptocarya chinensis, Engelhardia roxburghiana, and other organisms with data available.

   

MonnierisideG

(2R)-4-hydroxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one

C21H26O10 (438.1526)


   

Depressine

(2S,3R,4S)-Methyl 4-(2-((2-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoyl)oxy)ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

C30H40O18 (688.2215)


Depressine is a natural product found in Gentiana depressa with data available. Depressine is a natural product found in Gentiana depressa[1].

   

N-Vanillyldecanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide

C18H29NO3 (307.2147)


n-Vanillyldecanamide is a natural product found in Capsicum annuum with data available. See also: Paprika (part of). N-Vanillyldecanamide, a capsaicinoid isolated from the fruits of Capsicum annuum, significantly reduced the radical length of Lactuca sativa seedling in a dose-dependent manner[1].

   

OdoratisolA

Phenol, 4-((2S,3S)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2- benzofuranyl)-2,6-dimethoxy-

C21H24O5 (356.1624)


   

(2S)-4-O-β-D-apiofuranosyl-(1→6)-O-β-D-glucopyranosylvisamminol

(2S)-4-O-β-D-apiofuranosyl-(1→6)-O-β-D-glucopyranosylvisamminol

C26H34O14 (570.1948)


   

Phaseoloidin

2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid

C14H18O9 (330.0951)


Phaseoloidin is a natural product found in Entada pursaetha, Entada rheedei, and Entada phaseoloides with data available. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2]. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2].

   

13-Hydroxyisobakuchiol

4-[(1E,3R,5E)-3-Ethenyl-7-hydroxy-3,7-dimethylocta-1,5-dienyl]phenol

C18H24O2 (272.1776)


   

Rubrofusarin triglucoside

Rubrofusarin triglucoside

C33H42O20 (758.2269)


Rubrofusarin triglucoside is a natural product found in Senna tora with data available.

   

Bryonamide A

Benzamide, 4-hydroxy-N-(2-hydroxyethyl)-

C9H11NO3 (181.0739)


   

Eleutherol

Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-5-methoxy-3-methyl-, (R)-

C14H12O4 (244.0736)


Eleutherol is a naphthofuran. Eleutherol is a natural product found in Sisyrinchium palmifolium and Eleutherine bulbosa with data available. [Raw Data] CBA05_Eleutherol_neg_50eV000002.txt [Raw Data] CBA05_Eleutherol_neg_40eV000002.txt [Raw Data] CBA05_Eleutherol_neg_30eV000002.txt [Raw Data] CBA05_Eleutherol_neg_20eV000002.txt [Raw Data] CBA05_Eleutherol_neg_10eV000002.txt [Raw Data] CBA05_Eleutherol_pos_50eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_40eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_30eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_20eV_000002.txt [Raw Data] CBA05_Eleutherol_pos_10eV_000002.txt

   

Cassiaside C

10-hydroxy-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one

C27H32O15 (596.1741)


Cassiaside C is a benzochromenone and a glycoside. Cassiaside C is a natural product found in Senna obtusifolia and Senna tora with data available. Cassiaside C (Toralactone 9-O-β-D-gentiobioside) is a naphthopyrone isolated from the seed of Cassia tora and has inhibitory activity on advanced glycation end products (AGE)?formation in vitro[1].

   

Ginkgolic acid 17:2

2-[(8E,11E)-heptadeca-8,11-dienyl]-6-hydroxybenzoic acid

C24H36O3 (372.2664)


(E/Z)-Ginkgolic acid C17:2, isolated from Ginkgo biloba, can bind with human dihydroorotate dehydrogenase (DHODH) tightly[1].

   

Rubinaphthin A

1-Hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-naphthoic acid

C17H18O9 (366.0951)


Rubinaphthin A is a natural product found in Rubia yunnanensis with data available.

   

S-(4-Hydroxybenzyl)glutathione

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(4-hydroxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C17H23N3O7S (413.1257)


S-(4-Hydroxybenzyl)glutathione is a natural product found in Gastrodia elata with data available. S-(4-Hydroxybenzyl)glutathione is a glutathione derivative. S-(4-Hydroxybenzyl)glutathione inhibits the in vitro binding of kainic acid to brain glutamate receptors, with an IC50 of 2 μM[1].

   

2-Phenethyl-6-hydroxychromone

6-hydroxy-2-(2-phenylethyl)chromen-4-one

C17H14O3 (266.0943)


2-Phenethyl-6-hydroxychromone is a natural product found in Aquilaria sinensis with data available.

   
   

Icosyl ferulate

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, eicosyl ester

C30H50O4 (474.3709)


Eicosyl ferulate is a natural product found in Baccharis sagittalis, Baccharis genistelloides, and other organisms with data available.

   

Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-

3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol

C16H16O3 (256.1099)


Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]- is a natural product found in Streptomyces avermitilis with data available.

   

GarcinoicAcid

(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

C27H38O4 (426.277)


(2e,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid is a tocotrienol. GarcinoicAcid is a natural product found in Garcinia kola with data available.

   

Oxyphyllacinol

1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol

C20H26O3 (314.1882)


Oxyphyllacinol is a natural product found in Alpinia oxyphylla with data available. Oxyphyllacinol is a natural product that can be derived from the fruit of Alpinia oxyphylla[1]. Oxyphyllacinol is a natural product that can be derived from the fruit of Alpinia oxyphylla[1].

   

ACon1_001209

[2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate

C18H26O6 (338.1729)


8-Hydroxy-9,10-diisobutyryloxythymol is a natural product found in Centipeda minima, Arnica montana, and Inula japonica with data available.

   

YGGWL

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid

C30H38N6O7 (594.2802)


Gluten exorphin B5 is an oligopeptide.

   

4-methoxy-2-aminophenol

2-azanyl-4-methoxy-phenol;hydrochloride

C7H9NO2 (139.0633)


2-Amino-4-methoxyphenol is a volatile constituent in the aroma concentrate of Tieguanyin teas[1]. 2-Amino-4-methoxyphenol is used for the synthesis of pyridine analogues[2]. 2-Amino-4-methoxyphenol is a volatile constituent in the aroma concentrate of Tieguanyin teas[1]. 2-Amino-4-methoxyphenol is used for the synthesis of pyridine analogues[2].

   

2-methyl-4-acetylphenol

4 inverted exclamation mark -Hydroxy-3 inverted exclamation mark -methylacetophenone

C9H10O2 (150.0681)


4-hydroxy-3-methylacetophenone is a monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively. It has a role as a volatile oil component and an insect attractant. It is a monohydroxyacetophenone, a member of phenols and a hydroxytoluene. It is functionally related to an acetophenone. 4-Hydroxy-3-methylacetophenone is a natural product found in Apium graveolens and Rehmannia glutinosa with data available. A monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2]. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2].

   

AI3-36426

Methyl 3,5-dimethoxy-4-hydroxybenzoate; Methyl syringate

C10H12O5 (212.0685)


Methyl syringate is a benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. It has a role as a plant metabolite. It is a benzoate ester, a dimethoxybenzene and a member of phenols. It is functionally related to a syringic acid. Methyl 4-hydroxy-3,5-dimethoxybenzoate is a natural product found in Buxus natalensis, Cestrum parqui, and other organisms with data available. A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].

   

Phenethyl ferulate

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-phenylethyl ester, (2E)-

C18H18O4 (298.1205)


Phenylethyl 3-methylcaffeate is a natural product found in Hansenia forbesii, Hansenia weberbaueriana, and Propolis with data available. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1]. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1]. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1].

   

4-Acetyl-3-methylphenol

4 inverted exclamation marka-Hydroxy-2 inverted exclamation marka-methylacetophenone

C9H10O2 (150.0681)


4-hydroxy-2-methylacetophenone is a member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. It has a role as a metabolite. It is a member of acetophenones and a member of phenols. A member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2]. 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2].

   

propanol syringol

1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)

C11H16O4 (212.1049)


4-(3-Hydroxypropyl)-2,6-dimethoxyphenol is a natural product found in Centaurea diffusa, Jurinea leptoloba, and other organisms with data available. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2]. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2].

   

3-Hydroxyacetophenone

Etilefrine Hydrochloride Imp. E (EP); Etilefrine Imp. E (EP); 1-(3-Hydroxyphenyl)ethanone; 3-Hydroxyacetophenone; Etilefrine Hydrochloride Impurity E; Etilefrine Impurity E

C8H8O2 (136.0524)


3-Hydroxyacetophenone is a natural product found in Vincetoxicum paniculatum, Dianthus caryophyllus, and other organisms with data available. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2]. 3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2].