Exact Mass: 164.0837
Exact Mass Matches: 164.0837
Found 500 metabolites which its exact mass value is equals to given mass value 164.0837,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
beta-Thujaplicin
Beta-thujaplicin is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antifungal agent, an antibacterial agent, an antiplasmodial drug, an antineoplastic agent and a plant metabolite. It is an enol, a cyclic ketone and a monoterpenoid. It derives from a hydride of a cyclohepta-1,3,5-triene. Hinokitiol is a natural product found in Chamaecyparis obtusa, Thujopsis dolabrata, and other organisms with data available. A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents beta-Thujaplicin is found in fruits. beta-Thujaplicin occurs in Juniperus communis (juniper Occurs in Juniperus communis (juniper). beta-Thujaplicin is found in fruits. D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
4-Isopropylbenzoic acid
P-cumic acid is a cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. It has a role as a plant metabolite. It is a conjugate acid of a p-cumate. 4-Isopropylbenzoic acid is a natural product found in Libocedrus yateensis, Bridelia retusa, and other organisms with data available. Constituent of various plant subspecies including Cuminum cyminum (cumin), Ferula subspecies and Perilla frutescens (perilla). 4-Isopropylbenzoic acid is found in cumin, fats and oils, and herbs and spices. 4-Isopropylbenzoic acid is found in cumin. 4-Isopropylbenzoic acid is a constituent of various plant species including Cuminum cyminum (cumin), Ferula species and Perilla frutescens (perilla). A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. KEIO_ID C157 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2]. 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].
Eugenol
Eugenol appears as clear colorless pale yellow or amber-colored liquid. Odor of cloves. Spicy pungent taste. (NTP, 1992) Eugenol is a phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis. It has a role as an allergen, a human blood serum metabolite, a sensitiser, a volatile oil component, a flavouring agent, an EC 1.4.3.4 (monoamine oxidase) inhibitor, a radical scavenger, an antibacterial agent, an antineoplastic agent, an apoptosis inducer, an anaesthetic, an analgesic, a voltage-gated sodium channel blocker, a NF-kappaB inhibitor and an anti-inflammatory agent. It is a phenylpropanoid, a monomethoxybenzene, a member of phenols and an alkenylbenzene. It is functionally related to a guaiacol. Eugenol is a naturally occurring phenolic molecule found in several plants such as cinnamon, clove, and bay leaves. It has been used as a topical antiseptic as a counter-irritant and in dental preparations with zinc oxide for root canal sealing and pain control. Although not currently available in any FDA-approved products (including OTC), eugenol has been found to have anti-inflammatory, neuroprotective, antipyretic, antioxidant, antifungal and analgesic properties. Its exact mechanism of action is unknown, however, it has been shown to interfere with action potential conduction. There are a number of unapproved OTC products available containing eugenol that advertise its use for the treatment of toothache. Eugenol is a Standardized Chemical Allergen. The physiologic effect of eugenol is by means of Increased Histamine Release, and Cell-mediated Immunity. Eugenol, also called clove oil, is an aromatic oil extracted from cloves that is used widely as a flavoring for foods and teas and as an herbal oil used topically to treat toothache and more rarely to be taken orally to treat gastrointestinal and respiratory complaints. Eugenol in therapeutic doses has not been implicated in causing serum enzyme elevations or clinically apparent liver injury, but ingestions of high doses, as with an overdose, can cause severe liver injury. Eugenol is a natural product found in Dahlia sherffii, Elettaria cardamomum, and other organisms with data available. Eugenol is an allyl chain-substituted guaiacol, i.e. 2-methoxy-4-(2-propenyl)phenol. Eugenol is a member of the allylbenzene class of chemical compounds. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. It is slightly soluble in water and soluble in organic solvents. It has a pleasant, spicy, clove-like odor. Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anaesthetic. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from petrochemicals or from by-products of paper manufacture (Wikipedia). 4-Allyl-2-methoxyphenol is a metabolite found in or produced by Saccharomyces cerevisiae. A cinnamate derivative of the shikimate pathway found in CLOVE OIL and other PLANTS. See also: Cinnamon (part of); Clove Oil (part of); Cinnamon Leaf Oil (part of) ... View More ... Eugenol is an allyl chain-substituted guaiacol. Eugenol is a member of the phenylpropanoids class of chemical compounds. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. It is slightly soluble in water and soluble in organic solvents. It has a pleasant, spicy, clove-like aroma. Eugenol is an allyl chain-substituted guaiacol, i.e. 2-methoxy-4-(2-propenyl)phenol. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anaesthetic. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from petrochemicals or from by-products of paper manufacture (Wikipedia). Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anesthetic. It is a key ingredient in Indonesian kretek (clove) cigarettes. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from phenol or from lignin. It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study. Eugenol has a very widespread occurrence in essential oils. Major component of clove oil. Also found in citrus and thyme oils. It is found in foods such as apple, apricot, banana and cherry fruits. Eugenol or 4-allyl-2-methoxyphenol is classified as a phenylpropanoid, formally derived from guaiacol, with an allyl chain positioned para to the hydroxy group. It is soluble in water, alcohol, chloroform, ether and oils. Eugenol is a neutral compound. It is biosynthesized from tyrosine. Eugenol is widely distributed in plants. It is a clear to pale yellow oily liquid extracted from clove oil, nutmeg, cinnamon, basil and bay leaf. It has a pleasant, spicy, clove-like odor with a spicy pungent taste. Eugenol is found in highest concentrations in cloves, allspices, and carrots and in lower concentrations in walnuts, ceylon cinnamons, and wild carrots. Eugenol has also been detected in shea tree, passion fruits, winged beans, fireweeds, and gingers, making it a potential biomarker for the consumption of these foods. Eugenol is used in perfumeries, flavorings and essential oils. It was first used for the manufacture of vanillin (https://doi.org/10.1021/ed054p776), though most vanillin is now produced from petrochemicals or from by-products of paper manufacture. Eugenol is hepatotoxic, meaning it may cause damage to the liver, if consumed in high doses. Eugenol has local antiseptic and anaesthetic properties (PMID:15089054 ; PMID:935250 ) and acts as positive allosteric modulators of the GABA-A receptor. It has high antioxidant, anti-proliferative, and anti-inflammatory activities with potential roles in alleviating and preventing cancer and inflammatory reactions (PMID:27771920 ). A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents [Raw Data] CB226_Eugenol_pos_10eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_20eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_40eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_50eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_30eV_CB000079.txt Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.
Benzenebutanoic acid
Benzenebutanoic acid (also known as 4-phenylbutyrate, or 4-PBA) is the oral form of butyrate, which is known to be a transcriptional regulator. Sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia. Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER (endoplasmic reticulum) environment (PMID 12458151). 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking (PMID 16798551). 4-phenylbutyrate (4-PBA) is known to be a transcriptional regulator, and sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER environment. 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking. (PMID 12458151) [HMDB] C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
N,N-Dimethyl-N-phenylurea
CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6608; ORIGINAL_PRECURSOR_SCAN_NO 6607 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6615 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3111 CONFIDENCE standard compound; INTERNAL_ID 4045 CONFIDENCE standard compound; INTERNAL_ID 8425 CONFIDENCE standard compound; INTERNAL_ID 2611
2-Phenylethyl acetate
2-Phenylethyl acetate, also known as 2-phenethyl acetic acid or benzylcarbinyl acetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenylethyl acetate is a sweet, floral, and fruity tasting compound. 2-Phenylethyl acetate is found, on average, in the highest concentration within ceylon cinnamons and cloves. 2-Phenylethyl acetate has also been detected, but not quantified, in several different foods, such as butternuts, eggplants, turmerics, radish (var.), and pili nuts. This could make 2-phenylethyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-phenylethanol. Flavouring ingredient. 2-Phenylethyl acetate is found in many foods, some of which are acerola, prickly pear, summer grape, and sweet orange.
S-Methyl-L-methionine
A sulfonium compound that is the conjugate acid of S-methyl-L-methioninate.
Isoeugenol
Isoeugenol is a pale yellow oily liquid with a spice-clove odor. Freezes at 14 °F. Density 1.08 g / cm3. Occurs in ylang-ylang oil and other essential oils. Isoeugenol is a phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It has a role as an allergen and a sensitiser. It is a phenylpropanoid and an alkenylbenzene. It is functionally related to a guaiacol. Isoeugenol is a commonly used fragrance added to many commercially available products, and occurs naturally in the essential oils of plants such as ylang-ylang. It is also a significant dermatologic sensitizer and allergen, and as a result has been restricted to 200 p.p.m. since 1998 according to guidelines issued by the fragrance industry. Allergic reactivity to Isoeugenol may be identified with a patch test. Isoeugenol is a natural product found in Chaerophyllum macrospermum, Origanum sipyleum, and other organisms with data available. Isoeugenol is is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil and cinnamon. It is very slightly soluble in water and soluble in organic solvents. It has a spicy odor and taste of clove. Isoeugenol is prepared from eugenol by heating. Eugenol is used in perfumeries, flavorings, essential oils and in medicine (local antiseptic and analgesic). It is used in the production of isoeugenol for the manufacture of vanillin. Eugenol derivatives or methoxyphenol derivatives in wider classification are used in perfumery and flavoring. They are used in formulating insect attractants and UV absorbers, analgesics, biocides and antiseptics. They are also used in manufacturing stabilizers and antioxidants for plastics and rubbers. Isoeugenol is used in manufacturing perfumeries, flavorings, essential oils (odor description: Clove, spicy, sweet, woody) and in medicine (local antiseptic and analgesic) as well as vanillin. (A7915). E-4-Propenyl-2-methoxyphenol is a metabolite found in or produced by Saccharomyces cerevisiae. Isoeugenol is an isomer of eugenol, wherein the double bond on the alkyl chain is shifted by one carbon. It also known as propenylgualacol, 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. Isoeugenol is also classified as a phenylpropene, a propenyl-substituted guaiacol. Isoeugenol may occur as either the cis (Z) or trans (E) isomer. Trans (E) isoeugenol is crystalline while cis (Z) isoeugenol is a pale, yellow liquid. Isoeugenol is very slightly soluble in water and soluble in organic solvents. It has a spicy, sweet, carnation-like odour and tastes of sweet spice and clove. Isoeugenol is a widely used food flavoring agent and a perfuming agent. As a food flavoring agent, it is responsible for the flavor of nutmeg (in pumpkin pies), As a fragrance, it is extensively used as a scent agent in consumer products such as soaps, shampoos, perfumes, detergents and bath tissues (often labeled as ‚ÄúFragrance‚Äù rather than isoeugenol). However, some individuals can develop allergies to isoeugenol as it appears to be a strong contact allergen (PMID:10554062 ). Isoeugenol can be prepared from eugenol by heating. In addition to its industrial production via eugenol, isoeugenol can also be extracted from certain essential oils especially from clove oil and cinnamon. It is found naturally in a wide number of foods, spices and plants including allspice, basil, blueberries, cinnamon, cloves, coffee, dill, ginber, nutmeg, thyme and turmeric. Isoeugenol is also a component of wood smoke and liquid smoke. It is one of several phenolic compounds responsible for the mold-inhibiting effect of smoke on meats and cheeses. Isoeugenol (specifically the acetate ester) has also been used in the production of vanillin. Isoeugenol is one of several non-cannabinoid phenols found in cannabis plants (PMID:6991645 ). (e)-isoeugenol, also known as 2-methoxy-4-propenylphenol or propenylgualacol, 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 (e)-isoeugenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-isoeugenol is a sweet, carnation, and clove tasting compound and can be found in a number of food items such as corn salad, coconut, flaxseed, and winter squash, which makes (e)-isoeugenol a potential biomarker for the consumption of these food products (e)-isoeugenol can be found primarily in saliva (e)-isoeugenol exists in all eukaryotes, ranging from yeast to humans (e)-isoeugenol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].
4-(4-Hydroxyphenyl)-2-butanone
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.
Thymoquinone
Thymoquinone is a member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. It has a role as an anti-inflammatory agent, an antioxidant, an adjuvant, an antineoplastic agent, a cardioprotective agent, an antidepressant and a plant metabolite. Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. Thymoquinone is a natural product found in Ayapana triplinervis, Tetraclinis articulata, and other organisms with data available. A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. Major constituent of seed oil of black cumin, Nigella sativa (24\\\%). Thymoquinone is found in herbs and spices and winter savory. Thymoquinone is found in herbs and spices. Thymoquinone is a major constituent of seed oil of black cumin, Nigella sativa (24\\\% COVID info from DrugBank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymoquinone is an orally active natural product isolated from N. sativa Thymoquinone down-regulates the VEGFR2-PI3K-Akt pathway. Thymoquinone has antioxidant, anti-inflammatory, anticancer, antiviral, anticonvulsant, antifungal, antiviral, antiangiogenic activity and hepatoprotective effects. Thymoquinone can be used to study Alzheimer's disease, cancer, cardiovascular disease, infectious disease and inflammation [1][2][3][4][5].
S-Methylmethionine
Isolated from cabbage leaves and other fruits and vegetables [DFC]. S-Methyl-L-methionine is found in many foods, some of which are evergreen huckleberry, rose hip, potato, and black crowberry. (S)-S-Methylmethionine is found in brassicas. (S)-S-Methylmethionine is isolated from cabbage leaves and other fruits and vegetables. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D018977 - Micronutrients > D014815 - Vitamins
1-(4-Methoxyphenyl)-2-propanone
1-(4-Methoxyphenyl)-2-propanone is found in anise. 1-(4-Methoxyphenyl)-2-propanone is isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). Isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). 1-(4-Methoxyphenyl)-2-propanone is found in fennel, herbs and spices, and anise.
3-Hydroxy-4-phenylbutan-2-one
3-Hydroxy-4-phenylbutan-2-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Benzyl propionate
Benzyl propionate is found in muskmelon. Benzyl propionate is used in fruit flavouring It is used in fruit flavourings. Benzyl propionate is found in muskmelon.
Methyl 3-phenylpropanoate
Methyl 3-phenylpropanoate is a flavouring ingredien Flavouring ingredient Methyl 3-phenylpropanoate is an endogenous metabolite. Methyl 3-phenylpropanoate is an endogenous metabolite.
Propyl benzoate
Propyl benzoate is found in cloves. Propyl benzoate is present in cherry and clove stem, also in butter. Propyl benzoate is a flavouring ingredient Propyl benzoate is an organic chemical compound used as a food additive Present in cherry and clove stem, also in butter. Flavouring ingredient
3-(4-Methoxyphenyl)-2-propen-1-ol
3-(4-Methoxyphenyl)-2-propen-1-ol is found in herbs and spices. 3-(4-Methoxyphenyl)-2-propen-1-ol is a constituent of Alpinia galanga (greater galangal)
Isoegomaketone
Constituent of the seeds of Perilla frutescens (perilla). Isoegomaketone is found in fats and oils and herbs and spices. Isoegomaketone is found in fats and oils. Isoegomaketone is a constituent of the seeds of Perilla frutescens (perilla)
1,2-Dimethoxy-4-vinylbenzene
1,2-Dimethoxy-4-vinylbenzene is found in cereals and cereal products. 1,2-Dimethoxy-4-vinylbenzene is a flavouring ingredient. 1,2-Dimethoxy-4-vinylbenzene is a constituent of roasted coffee aroma and boiled buckwheat flour flavour. Flavouring ingredient. Constituent of roasted coffee aroma and boiled buckwheat flour flavour. 1,2-Dimethoxy-4-vinylbenzene is found in cereals and cereal products and coffee and coffee products.
Egomaketone
Constituent of Perilla frutescens (perilla). Egomaketone is found in fats and oils and herbs and spices. Egomaketone is found in fats and oils. Egomaketone is a constituent of Perilla frutescens (perilla).
Ethyl phenylacetate
Ethyl phenylacetate, also known as ethyl alpha -toluate or ethyl benzeneacetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Ethyl phenylacetate is a sweet, anise, and balsam tasting compound. Ethyl phenylacetate is found, on average, in the highest concentration within corns. Ethyl phenylacetate has also been detected, but not quantified, in several different foods, such as citrus, pulses, german camomiles, alcoholic beverages, and cereals and cereal products. Ethyl phenylacetate is an odoriferous constituent of many plants. It is found in many foods, some of which are apple, grapefruit, guava fruit, papaya, melon, pineapple, wheat bread, crispbread, wines, fruit brandies, shoyu, bael (Aegle marmelos), sake, and ceriman (Monstera deliciosa). It can be used as a flavouring ingredient.
Epoxyanethole
Epoxyanethole is found in herbs and spices. Epoxyanethole is a constituent of fennel Foeniculum vulgare Constituent of fennel Foeniculum vulgare. Epoxyanethole is found in herbs and spices.
1-Phenylethyl acetate
1-Phenylethyl acetate is found in cloves. 1-Phenylethyl acetate is a flavouring ingredient. 1-Phenylethyl acetate is present in gardenia flower oi 1-Phenylethyl acetate is a flavouring ingredient. It is found in gardenia flower oil and cloves.
3-Phenylbutyric acid
3-Phenylbutyric acid, also known as 3-phenylbutyrate or (RS)-3-phenylbutanoate, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Adverse effects Nearly 1/4 women may experience an adverse effect of amenorrhea or menstrual dysfunction. Sodium phenylbutyrate can act as a chemical chaperone, stabilising the mutant CFTR in the endoplasmic reticulum and allowing it to reach the cell surface. A 5g tablet or powder of sodium phenylbutyrate taken by mouth can be detected in the blood within 15 minutes, and reaches peak concentration in the bloodstream within an hour. Phenylbutyric acid is a metabolite occasionally isolated from biological samples (PMID 11043786; 6511847), and it is speculated that this is due to a pitfall in quantitative urinary organic acid analysis originated in the irreproducible adsorption to glass as a major cause of errors. (PMID 10384390) [HMDB] 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].
Kynuramine
Kynuramines are endogenously occurring diamines derived from tryptophan. [HMDB] Kynuramines are endogenously occurring diamines derived from tryptophan.
2-Phenylbutyric acid
2-Phenylbutyric acid, also known as alpha-phenylbutyrate or alpha-ethyl-alpha-toluate, belongs to the class of organic compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 2-Phenylbutyric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-Phenylbutyric acid can be biosynthesized from butyric acid. 2-Phenylbutyric acid is used as an anticholesteremic. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutyric acid is used as an anticholesteremic. [HMDB] 2-Phenylbutanoic acid is an endogenous metabolite.
Isopropyl benzoate
Isopropyl benzoate is found in cocoa and cocoa products. Isopropyl benzoate is present in feijoa fruit (Feijoa sellowiana), apple, pear, cocoa and honey. Isopropyl benzoate is a flavouring ingredien Present in feijoa fruit (Feijoa sellowiana), apple, pear, cocoa and honey. Flavouring ingredient. Isopropyl benzoate is found in pomes, cocoa and cocoa products, and fruits.
3-Phenylpropyl formate
3-Phenylpropyl formate is used in food flavourin It is used in food flavouring.
2-(1,2-Diamino-1-propenyl)phenol
2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans. 2-(1,2-Diamino-1-propenyl)phenol is present in shrimp shell (Pandalus jordani) waste. Antioxidan Present in shrimp shell (Pandalus jordani) waste. Antioxidant. 2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans.
4-Methyl-2-phenyl-1,3-dioxolane
4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages. 4-Methyl-2-phenyl-1,3-dioxolane is reported in port wine. 4-Methyl-2-phenyl-1,3-dioxolane is a flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. 4-Methyl-2-phenyl-1,3-dioxolane is a stabiliser for aspartame in chewing-gum formulations. Reported in port wine. Flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. Stabiliser for aspartame in chewing-gum formulations. 4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages.
p-Mentha-2,4(8)-dien-9,3-olide
xi-p-Mentha-2,4(8)-dien-9,3-olide is found in garden tomato. xi-p-Mentha-2,4(8)-dien-9,3-olide is a flavouring ingredient. It is used as a food additive
4-Methylbenzyl alcohol acetate
4-Methylbenzyl alcohol acetate is a component of FEMA 2684. 4-Methylbenzyl alcohol acetate is a flavouring ingredient. Component of FEMA 2684. Flavouring ingredient
2-Methylbenzyl alcohol acetate
2-Methylbenzyl alcohol acetate is found in parsley. 2-Methylbenzyl alcohol acetate is a flavouring ingredient. 2-Methylbenzyl alcohol acetate is a component of FEMA 2684. Flavouring ingredient. Component of FEMA 2684. 2-Methylbenzyl alcohol acetate is found in parsley.
(3-Methylphenyl)methyl acetate
(3-methylphenyl)methyl acetate is a component of FEMA 2684. (3-methylphenyl)methyl acetate is a flavouring ingredient. Component of FEMA 2684. Flavouring ingredient
Phenyl butyrate
Phenyl butyrate is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]
2-Methoxy-5-prop-1-enylphenol
2-methoxy-5-prop-1-enylphenol 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. 2-methoxy-5-prop-1-enylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methoxy-5-prop-1-enylphenol can be found in sesame, which makes 2-methoxy-5-prop-1-enylphenol a potential biomarker for the consumption of this food product.
Piperidines
Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (‚ÄìCH2‚Äì) and one amine bridge (‚ÄìNH‚Äì). It is a colorless Liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids . Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (–CH2–) and one amine bridge (–NH–). It is a colorless liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids .
Isochavibetol
Isochavibetol 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. Isochavibetol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isochavibetol can be found in anise, which makes isochavibetol a potential biomarker for the consumption of this food product.
5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid
Isoeugenol
A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It is used in flavourings. Occurs in ylang-ylang and other essential oils. Isoeugenol is found in many foods, some of which are celeriac, spearmint, kale, and pepper (c. baccatum). Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].
2-(Cyclopropylcarbonyl)-3-(dimethylamino)acrylonitrile
1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-(4)|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-4
5,6-dihydro-4,7-dimethylcyclopentapyran-1-(4aH)one
(E)-p-coumaryl alcohol gamma-O-methyl ether|4-[(1E)-3-methoxy-1-propenyl]phenol
Kynuramine
A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.
Viburtinal (4-Methyl-7-formyl-cyclopentapyran)|Viburtinal (4-Methyl-7-formyl-cyclopenta[c]pyran)
9-hydroxy-8,10-dehydrothymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(+)-(1S)-4-methyl-alpha-methylene-2-oxocyclohex-3-eneacetaldehyde|(+)-(S)-vesperal|(S)-(+)-vesperal
(4S)-(3-oxoprop-1-en-2-yl)cyclohex-1-enecarbaldehyde|(4S)-parectadial
(Z)-5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone|dec-7E-en-5-yn-4-olide
4,7-Dimethyl-4a,5-dihydrocyclopenta[c]pyran-3(4H)-one
4, 6-Decadiynoic acid|Deca-4,6-diinsaeure|deca-4,6-diynoic acid|decane-4,6-diynoic acid
(+/-)-o-mentha-1,3-dien-1->8-olide|3,3-dimethyl-3a,4-dihydro-3H-isobenzofuran-1-one|o-Mentha-1,3-dien-1->8-olid
10-Hydroxy-4,6-decadiyn-3-one|10-hydroxy-deca-4,6-diyn-3-one
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-
Hinokitiol
Origin: Plant; Formula(Parent): C10H12O2; Bottle Name:Hinokitiol; PRIME Parent Name:Hinokitiol; PRIME in-house No.:S0323; SubCategory_DNP: Monoterpenoids, Tropolone monoterpenoids D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
3-Phenylbutyric acid
A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].
Eugenol
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.
Thymoquinone
Thymoquinone is an orally active natural product isolated from N. sativa Thymoquinone down-regulates the VEGFR2-PI3K-Akt pathway. Thymoquinone has antioxidant, anti-inflammatory, anticancer, antiviral, anticonvulsant, antifungal, antiviral, antiangiogenic activity and hepatoprotective effects. Thymoquinone can be used to study Alzheimer's disease, cancer, cardiovascular disease, infectious disease and inflammation [1][2][3][4][5].
UNII:S7S079H2C2
A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutanoic acid is an endogenous metabolite.
2,4,6-Trimethylbenzoic acid
CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4357 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4380 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4359 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4443 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4353; ORIGINAL_PRECURSOR_SCAN_NO 4351
raspberry ketone
INTERNAL_ID 883; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7889; ORIGINAL_PRECURSOR_SCAN_NO 7886 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7929; ORIGINAL_PRECURSOR_SCAN_NO 7926 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7919; ORIGINAL_PRECURSOR_SCAN_NO 7916 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7922 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.
N-(3-Aminophenyl)propanamide
CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6606; ORIGINAL_PRECURSOR_SCAN_NO 6604 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6633; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667
Methyl 3-phenylpropionate
Methyl 3-phenylpropanoate is an endogenous metabolite.
PROPYL BENZOATE
A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste.
2-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-8-ylamine
2-(3-aminophenyl)-N-methylacetamide(SALTDATA: FREE)
2,2,3,3-tetradeuteriobutane-1,4-diamine,dihydrochloride
2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-9-methyl-
8-Methyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
(1R,2R)-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediol
(+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene
7-HYDRAZINO-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
4-isopropoxybenzaldehyde
ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].
7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE
(2S,3R,4S)-5-hydrazinylidenepentane-1,2,3,4-tetrol
Silane, (chloroMethyl)(1,1-diMethylethyl)diMethyl-
5-METHYL-3-(4H-1,2,4-TRIAZOL-4-YL)-1H-PYRAZOL-4-AMINE
Gibepyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3 and 6 are replaced by methyl and (2E)-2-buten-2-yl groups, respectively. It is a mycotoxin produced by the rice pathogen Fusarium fujikuroi.
Engenol
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.
Rheosmin
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.
cumic acid
4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2]. 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].
(2S)-2-azaniumyl-4-(dimethylsulfaniumyl)butanoate
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D018977 - Micronutrients > D014815 - Vitamins
(2R,3S,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
(2R,3R,4R,5R)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
[(3S,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]azanium
2-Methoxy-3,7-dimethylcyclohepta-2,4,6-trien-1-one
Phenylbutyric acid
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
Methyl 3-phenylpropanoate
A methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol.
S-methyl-L-methionine zwitterion
A sulfonium compound that is a tautomer of S-methyl-L-methionine, arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
4,6,6-trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
(1s,2s,5r,8r)-2,6-dimethyl-4-oxatricyclo[3.3.1.0²,⁸]non-6-en-3-one
1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
{"Ingredient_id": "HBIN000322","Ingredient_name": "1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one","Alias": "1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one; 4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde","Ingredient_formula": "C10H12O2","Ingredient_Smile": "Not Available","Ingredient_weight": "164.22","OB_score": "48.94293393","CAS_id": "23985-22-0","SymMap_id": "SMIT00863","TCMID_id": "21941","TCMSP_id": "MOL008272","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
{"Ingredient_id": "HBIN003312","Ingredient_name": "(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione","Alias": "(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-quinone","Ingredient_formula": "C10H12O2","Ingredient_Smile": "NA","Ingredient_weight": "164.2","OB_score": "64.22587061","CAS_id": "6617-34-1","SymMap_id": "SMIT05444","TCMID_id": "NA","TCMSP_id": "MOL003361","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Methoxy-3-(2-propenyl)-phenol
{"Ingredient_id": "HBIN005874","Ingredient_name": "2-Methoxy-3-(2-propenyl)-phenol","Alias": "NA","Ingredient_formula": "C10H12O2","Ingredient_Smile": "COC1=C(C=CC=C1O)CC=C","Ingredient_weight": "164.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "596373","DrugBank_id": "NA"}
alpha-thujaplicin
{"Ingredient_id": "HBIN015722","Ingredient_name": "alpha-thujaplicin","Alias": "\u03b1-thujaplicin","Ingredient_formula": "C10H12O2","Ingredient_Smile": "CC(C)C1=C(C(=O)C=CC=C1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32064;21330","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anisolacetone
{"Ingredient_id": "HBIN016192","Ingredient_name": "anisolacetone","Alias": "NA","Ingredient_formula": "C10H12O2","Ingredient_Smile": "CC(=O)CC1=CC=C(C=C1)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
