Exact Mass: 354.0771
Exact Mass Matches: 354.0771
Found 500 metabolites which its exact mass value is equals to given mass value 354.0771,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Neochlorogenic acid
Constituent of coffee and many other plants. First isolated from peaches (Prunus persica). trans-Neochlorogenic acid is found in coffee and coffee products, fruits, and pear. [Raw Data] CBA73_Neochlorogenic-_neg_50eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_20eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_40eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_20eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_10eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_50eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_40eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_30eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_10eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_30eV.txt Neochlorogenic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=906-33-2 (retrieved 2024-07-17) (CAS RN: 906-33-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Chlorogenic acid
Chlorogenic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. It has a role as a plant metabolite and a food component. It is a cinnamate ester and a tannin. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a chlorogenate. Chlorogenic Acid has been used in trials studying the treatment of Advanced Cancer and Impaired Glucose Tolerance. Chlorogenic Acid is a natural product found in Pavetta indica, Fragaria nipponica, and other organisms with data available. Chlorogenic Acid is a polyphenol and the ester of caffeic acid and quinic acid that is found in coffee and black tea, with potential antioxidant and chemopreventive activities. Chlorogenic acid scavenges free radicals, which inhibits DNA damage and may protect against the induction of carcinogenesis. In addition, this agent may upregulate the expression of genes involved in the activation of the immune system and enhances activation and proliferation of cytotoxic T-lymphocytes, macrophages, and natural killer cells. Chlorogenic acid also inhibits the activity of matrix metalloproteinases. A naturally occurring phenolic acid which is a carcinogenic inhibitor. It has also been shown to prevent paraquat-induced oxidative stress in rats. (From J Chromatogr A 1996;741(2):223-31; Biosci Biotechnol Biochem 1996;60(5):765-68). See also: Arctium lappa Root (part of); Cynara scolymus leaf (part of); Lonicera japonica flower (part of) ... View More ... Chlorogenic acid is an ester of caffeic acid and quinic acid. Chlorogenic acid is the major polyphenolic compound in coffee, isolated from the leaves and fruits of dicotyledonous plants. This compound, long known as an antioxidant, also slows the release of glucose into the bloodstream after a meal. Coffee is a complex mixture of chemicals that provides significant amounts of chlorogenic acid. The chlorogenic acid content of a 200 ml (7-oz) cup of coffee has been reported to range from 70-350 mg, which would provide about 35-175 mg of caffeic acid. The results of epidemiological research suggest that coffee consumption may help prevent several chronic diseases, including type 2 diabetes mellitus, Parkinsons disease and liver disease (cirrhosis and hepatocellular carcinoma). Most prospective cohort studies have not found coffee consumption to be associated with significantly increased cardiovascular disease risk. However, coffee consumption is associated with increases in several cardiovascular disease risk factors, including blood pressure and plasma homocysteine. At present, there is little evidence that coffee consumption increases the risk of cancer. (PMID:16507475, 17368041). A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. [Raw Data] CBA08_Chlorogenic-aci_pos_10eV_1-1_01_209.txt [Raw Data] CBA08_Chlorogenic-aci_neg_30eV_1-1_01_218.txt [Raw Data] CBA08_Chlorogenic-aci_neg_20eV_1-1_01_217.txt [Raw Data] CBA08_Chlorogenic-aci_pos_30eV_1-1_01_211.txt [Raw Data] CBA08_Chlorogenic-aci_neg_40eV_1-1_01_219.txt [Raw Data] CBA08_Chlorogenic-aci_pos_20eV_1-1_01_210.txt [Raw Data] CBA08_Chlorogenic-aci_pos_50eV_1-1_01_213.txt [Raw Data] CBA08_Chlorogenic-aci_neg_50eV_1-1_01_220.txt [Raw Data] CBA08_Chlorogenic-aci_neg_10eV_1-1_01_216.txt [Raw Data] CBA08_Chlorogenic-aci_pos_40eV_1-1_01_212.txt Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
Scopolin
Scopolin is a member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a monosaccharide derivative, a member of coumarins and a beta-D-glucoside. It is functionally related to a scopoletin. Scopolin is a natural product found in Artemisia ordosica, Astragalus onobrychis, and other organisms with data available. See also: Chamaemelum nobile flower (part of). A member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].
Flumioxazin
Flumioxazin is a herbicide used on soybeans, peanuts, orchard fruits and other crop Herbicide used on soybeans, peanuts, orchard fruits and other crops CONFIDENCE standard compound; EAWAG_UCHEM_ID 3167 CONFIDENCE standard compound; INTERNAL_ID 2631 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
THIODICARB
CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8163; ORIGINAL_PRECURSOR_SCAN_NO 8160 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8215; ORIGINAL_PRECURSOR_SCAN_NO 8210 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8251; ORIGINAL_PRECURSOR_SCAN_NO 8248 CONFIDENCE standard compound; INTERNAL_ID 457; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8269; ORIGINAL_PRECURSOR_SCAN_NO 8264
(+)-Sesamin
(+)-Sesamin, also known as fagarol or sezamin, belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. (+)-Sesamin is an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-Sesamin is found, on average, in the highest concentration within sesames. (+)-Sesamin has also been detected, but not quantified in, several different foods, such as fats and oils, flaxseeds, ginkgo nuts, and ucuhuba. This could make (+)-sesamin a potential biomarker for the consumption of these foods. (+)-sesamin is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. It is a lignan, a member of benzodioxoles and a furofuran. Sesamin is a natural product found in Pandanus boninensis, Podolepis rugata, and other organisms with data available. See also: Sesame Oil (part of). A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. Constituent of sesame oil. (+)-Sesamin is found in many foods, some of which are ginkgo nuts, sesame, flaxseed, and fats and oils. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
Licoisoflavone A
Constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is found in many foods, some of which are yellow wax bean, common bean, white lupine, and green bean. Licoisoflavone A is found in common bean. Licoisoflavone A is a constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1]. Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1].
kaempferol 3-rhamnoside-7-glucoside
Hinokinin (Compound 1) is a compound isolated from the stems of Hypoestes aristate. Hinokinin exhibits moderate activity of HIV-1 protease enzyme[1]. Hinokinin (Compound 1) is a compound isolated from the stems of Hypoestes aristate. Hinokinin exhibits moderate activity of HIV-1 protease enzyme[1].
5-Amino-6-(5-phosphoribosylamino)uracil
[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine
Biflorin
Biflorin is an o-naphthoquinone isolated from Capraria biflora L. (Scrophulariaceae, a perennial shrub widely distributed in several countries of tropical America). Biflorin has cytotoxic and antioxidant potential, strongly inhibiting the growth of five tested tumor cell lines, especially the skin, breast and colon cancer cells with IC50 of 0.40, 0.43 and 0.88 micro/ml for B16, MCF-7 and HCT-8, respectively, while the antioxidant activity was assayed against autoxidation of oleic acid in a water/alcohol system. (PMID: 16042338). Constituent of Eugenia caryophyllata (clove)
Cyclokievitone
Isolated from pods of Phaseolus vulgaris (kidney bean) and from other Phaseolus subspecies Cyclokievitone is found in many foods, some of which are green bean, common bean, pulses, and mung bean. Cyclokievitone is found in common bean. Cyclokievitone is isolated from pods of Phaseolus vulgaris (kidney bean) and from other Phaseolus species.
Luteone
Luteone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2 and 4 and a prenyl group at position 6. It has a role as a metabolite. Luteone is a natural product found in Lupinus albus, Lupinus arboreus, and other organisms with data available. See also: Lupinus luteus seed (part of). A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2 and 4 and a prenyl group at position 6. Constituent of Lupinus subspecies Luteone is found in many foods, some of which are common bean, white lupine, pulses, and lima bean. Luteone is found in common bean. Luteone is a constituent of Lupinus species. Luteone is a natural isoflavone, with antioxidant, antibacterial and antifung activities[1]. Luteone is a natural isoflavone, with antioxidant, antibacterial and antifung activities[1].
PHENOL RED
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CH - Tests for renal function and ureteral injuries D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins D004396 - Coloring Agents Same as: D01200
Chlorpromazine hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Neochlorogenic_acid
Trans-5-O-caffeoyl-D-quinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. It has a role as a plant metabolite. It is a cyclitol carboxylic acid and a cinnamate ester. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a trans-5-O-caffeoyl-D-quinate. Neochlorogenic acid is a natural product found in Eupatorium perfoliatum, Centaurea bracteata, and other organisms with data available. See also: Lonicera japonica flower (part of); Stevia rebaudiuna Leaf (has part); Moringa oleifera leaf (part of). A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Albanin A
Albanin A is a member of flavones. Albanin A is a natural product found in Artocarpus gomezianus, Brosimum lactescens, and other organisms with data available. Albanin A is found in fruits. Albanin A is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Albanin A is found in fruits.
2',4',5,7-Tetrahydroxy-8-prenylisoflavone
Isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean). 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in many foods, some of which are common bean, yellow wax bean, pulses, and lima bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is a member of isoflavones. 2,3-Dehydrokievitone is a natural product found in Erythrina sacleuxii, Lupinus luteus, and other organisms with data available. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in common bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean).
Isolicoflavonol
Isolicoflavonol is a member of flavones. Isolicoflavonol is a natural product found in Macaranga conifera, Broussonetia papyrifera, and other organisms with data available. Isolicoflavonol is found in herbs and spices. Isolicoflavonol is a constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Isolicoflavonol is found in herbs and spices.
Licoflavonol
Licoflavonol is a member of flavones. Licoflavonol is a natural product found in Glycyrrhiza, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). Licoflavonol is found in herbs and spices. Licoflavonol is isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Licoflavonol is found in herbs and spices.
Cryptochlorogenic acid
Constituent of coffee and sunflowers. Cryptochlorogenic acid is found in many foods, some of which are arabica coffee, highbush blueberry, cereals and cereal products, and robusta coffee. Cryptochlorogenic acid is found in apple. Cryptochlorogenic acid is a constituent of coffee and sunflowers Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
1-O-Caffeoylquinic acid
1-O-Caffeoylquinic acid is found in coffee and coffee products. 1-O-Caffeoylquinic acid is a constituent of coffee 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
Gancaonin L
Gancaonin L is found in herbs and spices. Gancaonin L is isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Gancaonin L is found in herbs and spices.
Glyceofuran
Glyceofuran is found in pulses. Glyceofuran is isolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Isolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Glyceofuran is found in soy bean and pulses.
Niazidin
Constituent of the fresh pods of Moringa oleifera (horseradish tree). Niazidin is found in fats and oils, herbs and spices, and green vegetables. Niazidin is a glycoside that has been isolated from the fresh pods of Moringa oleifera (horseradish tree). Niazidin is found in fats and oils.
Isoartocarpesin
Isoartocarpesin is found in fruits. Isoartocarpesin is a constituent of Artocarpus incisus (breadfruit). Constituent of Artocarpus incisus (breadfruit). Isoartocarpesin is found in fruits.
Artocarpesin
Artocarpesin is found in fruits. Artocarpesin is a constituent of the heartwood of Artocarpus heterophyllus (jackfruit)
Isobiflorin
Constituent of Syzygium aromaticum (clove). Isobiflorin is found in herbs and spices and cloves. Isobiflorin is found in cloves. Isobiflorin is a constituent of Syzygium aromaticum (clove).
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is found in herbs and spices. 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is found in herbs and spices.
3,4,5-trihydroxy-6-[(8-hydroxy-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid
2-O-p-Coumaroylhydroxycitric acid
2-O-p-Coumaroylhydroxycitric acid is found in cereals and cereal products. 2-O-p-Coumaroylhydroxycitric acid is a constituent of Zea mays (sweet corn). Constituent of Zea mays (sweet corn). 2-O-p-Coumaroylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn.
Gancaonin C
Gancaonin C is found in herbs and spices. Gancaonin C is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin C is found in herbs and spices.
Gancaonin O
Constituent of Glycyrrhiza uralensis (Chinese licorice) and Hypericum perforatum (St. Johns Wort). Gancaonin O is found in tea, alcoholic beverages, and herbs and spices. Gancaonin O is found in alcoholic beverages. Gancaonin O is a constituent of Glycyrrhiza uralensis (Chinese licorice) and Hypericum perforatum (St. Johns Wort).
Cis-5-Caffeoylquinic acid
Cis-5-Caffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313) A polyphenol compound found in foods of plant origin (PhenolExplorer). Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
trans-Chlorogenic acid
3-O-Caffeoyl-muco-quinic acid is found in fruits. 3-O-Caffeoyl-muco-quinic acid is a constituent of Asimina triloba (pawpaw). Constituent of Asimina triloba (pawpaw). 3-O-Caffeoyl-muco-quinic acid is found in fruits.
5Z-Caffeoylquinic acid
Trans-neochlorogenic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Trans-neochlorogenic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Trans-neochlorogenic acid can be found in coffee and coffee products, fruits, and pear, which makes trans-neochlorogenic acid a potential biomarker for the consumption of these food products. 5Z-Caffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313).
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+)
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+) is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acid
(1R,3As,4S,6aS)-1,4-di(benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan
Constituent of sesame oil. (+)-Sesamin is found in many foods, some of which are ginkgo nuts, sesame, flaxseed, and fats and oils. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
8-Prenylkaempferol
1-Methyl-3-{2-[(1-methyl-1H-benzimidazol-2-yl)thio]ethyl}-1,3-dihydro-2H-benzimidazole-2-thione
2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide
Glucose lactate pyruvate
Glucose pyruvate lactate
THIODICARB
XIPAMIDE
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
Scopolin
Scopolin is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Scopolin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Scopolin can be found in a number of food items such as sweet potato, oat, wild celery, and potato, which makes scopolin a potential biomarker for the consumption of these food products. Scopolin is a glucoside of scopoletin formed by the action of the enzyme scopoletin glucosyltransferase . Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].
1-Caffeoylquinic acid
1-Cqa
1-O-caffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. It has a role as a Camellia sinensis metabolite, a NF-kappaB inhibitor, an antineoplastic agent and an antioxidant. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid. 1-Caffeoylquinic acid is a natural product found in Lonicera japonica, Erigeron breviscapus, and Embelia schimperi with data available. An alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
4-Cqa
4-O-trans-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has a role as a metabolite and a hepatoprotective agent. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (+)-quinic acid and a trans-caffeic acid. Cryptochlorogenic acid is a natural product found in Withania somnifera, Coffea arabica, and other organisms with data available. A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
sesamin
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites relative retention time with respect to 9-anthracene Carboxylic Acid is 1.233 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.236 Asarinin is a natural product found in Piper mullesua, Machilus thunbergii, and other organisms with data available. (-)-Asarinin is a natural product found in Zanthoxylum austrosinense, Horsfieldia irya, and other organisms with data available. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
Acetylresveratrol
Acetic acid [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] ester is a stilbenoid. Triacetylresveratrol, an acetylated analog of Resveratrol. Triacetylresveratrol decreases the phosphorylation of STAT3 and NF-κB in a dose- and time- dependent manner in PANC-1 and BxPC-3 cells. Anticancer effects[1]. Triacetylresveratrol, an acetylated analog of Resveratrol. Triacetylresveratrol decreases the phosphorylation of STAT3 and NF-κB in a dose- and time- dependent manner in PANC-1 and BxPC-3 cells. Anticancer effects[1].
asarinin
Episesamin is a natural product found in Zanthoxylum acanthopodium, Zanthoxylum beecheyanum, and other organisms with data available. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1].
Isochlorogenic acid
5,7,2,4-Tetrahydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
Laburnetin
5,7-Dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)chromen-4-one is a natural product found in Erythrina suberosa and Erythrina variegata with data available.
Isogancaonin C
Ephedroidin
3,5,4-Trihydroxy-4,5,dihydro-5-isopropenylfurano[2,3:7,8]flavanone
Dinklagin C
3,4-Dihydro-3,5-dihydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
5-Methoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Licoisoflavanone
Licoisoflavanone is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and other organisms with data available.
3,5,4-Trihydroxy-6,6-dimethylpyrano[2,3:7,8]flavanone
Chaetoxanthone B
A bridged organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one substituted by a hydroxy group at position 7, a methoxy group at position 9 and a methyl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity.
Glycyrrhisoflavone
Glycyrrhisoflavone is a natural product found in Psorothamnus arborescens, Psorothamnus arborescens var. minutifolius, and other organisms with data available. Glycyrrhisoflavone, an active prenylflavonoid, inhibits α-glucosidase[1]. Glycyrrhisoflavone, an active prenylflavonoid, inhibits α-glucosidase[1].
5-Hydroxy-6-methoxy-3,4-methylenedioxyfurano[2,3:7,8]flavanone
Dinklagin B
Elliptinol
Castillene C
6-Desmethylcandidusin B
A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 3,4-dihydroxyphenyl group at position 3, hydroxy groups at positions 1, 7 and 8 and a methoxy group at position 4. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
Allolicoisoflavone A
A hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2 and 4 and a prenyl group at position 5. It has been isolated from Glycyrrhiza uralensis.
Cyclokievitone
Desmethylicaritin
Gancaonin C
Glyceofuran
XIPAMIDE
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
Chlorogenic Acid
IPB_RECORD: 1901; CONFIDENCE confident structure Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
6-hydroxy-7-methoxy-3,7-dicoumarinyl ether|7-methyl-edgeworthin|Rutamontine
1-Deoxy-1-(2,8,8-trioxo-2,4,6,7,8-hexahydro-1H-imidazolo<4,5-g>pteridin-4-yl)-D-ribitol|Russupteridin-gelb IV
6-acetoxy-7-acetyl-1-hydroxy-3-methoxyanthraquinone
6-Hydroxy-12,15-dihydro-15,17-dioxo-12,12-dimethyl-17H-11,16-dioxa-11H-cyclopenta[a]phenanthrene-7-carboxylic acid methyl ester
5,7-dihydroxy-3-methylchromone-7-O-beta-D-glucoside|takanechromone A
7-acetoxy-3-benzo[1,3]dioxol-5-yl-6-methoxy-chromen-4-one|7-acetoxy-6-methoxy-3,4-methylenedioxyisoflavone|7-O-acetylfujikinetin
7-hydroxy-5-methyl-2-oxo-2H-chromen-4-yl beta-D-glucopyranoside|7-hydroxy-5-methylcoumarin-4-yl beta-D-glucopyranoside|hastatuside A
8-O-??-D-Glucopyranosyl-6-hydroxy-2-methyl-4H-1-benzopyran-4-one
noreugenin 7-O-beta-D-glucoside|schumanniofioside A
8-O-beta-D-glucopyranosyl-6-hydroxy-2-methyl-4H-1-benzopyran-4-one
ST638
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors
Magnolioside
Magnolioside is a member of coumarins and a glycoside. Magnolioside is a natural product found in Olea capensis, Pelargonium sidoides, and other organisms with data available. Magnolioside, isolated from Angelica gigas Nakai (Umbelliferae), exhibits significant neuroprotective activities against glutamate-induced toxicity[1].
6-Aldehydoisoophiopogonone A
6-Aldehydo-isoophiopogonone A is a natural product found in Ophiopogon japonicus with data available.
Cryptochlorogenic acid
Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(3R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Neochlorogenic acid
Neochlorogenic acid, also known as neochlorogenate or 3-O-caffeoylquinic acid, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Neochlorogenic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Neochlorogenic acid can be found in a number of food items such as quince, chicory, white cabbage, and grape wine, which makes neochlorogenic acid a potential biomarker for the consumption of these food products. Neochlorogenic acid is a natural polyphenolic compound found in some types of dried fruits and a variety of other plant sources such as peaches. It is an isomer of chlorogenic acid . Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Cyclohexanecarboxylicacid
1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid
2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Caffeoyl quinic acid (isomer of 832, 833, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 833, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 832, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 832, 833)
Annotation level-2
2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid [IIN-based: Match]
5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid_major
2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid_major
Cis-5-Caffeoylquinic acid
trans-Chlorogenic acid
2-O-p-Coumaroylhydroxycitric acid
5Z-Caffeoylquinic acid
CYCLOHEXANECARBOXYLIC ACID
3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
2-[2-(4-Methyl-benzoylimino)-benzothiazol-3-yl]-butyric acid
2-[[4-(2-Pyridylsulfamoyl)phenyl]azo]hydroxybenzene
(1S,4S)-(+)-2-ETHYL-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE DIHYDROCHLORIDE
1-BOC-3-[(2-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
4-AMINO-1-(4-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTERDI HYDROCHLORIDE
N-(TERT-BUTYL)-3-((2-CHLORO-5-METHYLPYRIMIDIN-4-YL)AMINO)BENZENESULFONAMIDE
N1,N1-DIETHYL-5-CHLORO-2-(4-CHLOROPHENOXY)-4-NITROANILINE
tert-Butyl 4-(4-bromobenzyl)piperazine-1-carboxylate
tert-butyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
3-(2-BROMO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-BROMO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-AMINO-4-(4-BROMO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(5-chloro-2-fluorophenyl)-N-(3-methylpyridin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
2-(3-Bromo-5-isobutoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-Bromo-5-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-Amino-4-(3-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
N-[(10-Oxido-9,10-dihydro-9-oxa-10-phosphaphenanthrene)methyl]-1,3,5-triazine-2,4,6-triamine
TERT-BUTYL 4-(3-BROMOBENZYL)PIPERAZINE-1-CARBOXYLATE
tert-butyl 4-(4-bromoanilino)piperidine-1-carboxylate
5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
IMp. B (EP) as Dihydrochloride: N-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-N,N,N-triMethyl- propane-1,3-diaMine Dihydrochloride
Methyl 4-amino-1-(4-chlorobenzyl)piperidine-4-carboxylate dihydrochloride
Cys-Gly, oxidized
5-{4-[2-(5-Ethyl-2-pyridinyl)ethoxyl]benzylene}-2,4-thiazolidinedione
N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-chloro-pyridyl]-thiourea
2-(1,5-Dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
N-(3-chloro-4-methylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide
(3R,5S)-4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
4-(2-Chlorophenyl)-8-(2-Hydroxyethyl)-6-Methylpyrrolo[3,4-E]indole-1,3(2h,6h)-Dione
Heriguard
Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
3-hydroxy-2-(1,2,2-trihydroxyethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one
[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
3,4,5-Trihydroxy-6-(8-hydroxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
(2S)-2-amino-4-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-2-methylbutan-1-ol
2-Hydroxypropanoyl 2-oxo-3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
2-Oxopropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
(2S,5R)-7-chloro-3,4,6-trimethoxy-5-methylspiro[benzofuran-2,4-cyclohexane]-1,3-dione
(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
4-methyl-N-[(1Z)-3-oxo-3-thien-2-yl-1-(trifluoromethyl)propylidene]benzohydrazide
3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester
1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[[1-(2-Furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzamide
N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
O-cyano N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
3-(2,3-Dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
Ethyl 2-[3-cyano-4-(uran-2-yl)-6-thiophen-2-ylpyridin-2-yl]oxyacetate
(1S,3S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
11-hydroxy-O-methylsterigmatocystin
A sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of the parent sterigmatocystin.
2,2-{Disulfanediylbis[(2-azaniumyl-1-oxopropane-3,1-diyl)azanediyl]}diacetate
(1R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
2-(3-Methoxybenzyl)-5-[5-(2-thienyl)-2-thienyl]-1,3,4-oxadiazole
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(chloromethyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
6-[(2Z)-2-carboxy-2-(phenylmethylidene)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
(3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
5-amino-6-(5-phospho-beta-D-ribosylamino)uracil
An N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-beta-D-ribosyl residue.
5-(3-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazolyl)phenoxy)propyl)-3-Methyl Isoxazole
4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)pyridinium
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
S-(chloromethyl)glutathione(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-(chloromethyl)glutathione; major species at pH 7.3.
5-Amino-6-(5-phosphoribitylamino)uracil(2-)
Dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups.
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid
5-O-cis-caffeoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid.
Olutasidenib
Olutasidenib (FT-2102) is a highly potent, orally active, brain penetrant and selective inhibitor of mutant Isocitrate dehydrogenase 1 (IDH1), with IC50 values of 21.2 nM and 114 nM for IDH1- R132H and IDH1- R132C, respectively . Olutasidenib (FT-2102) is under the study in the treatment of acute myeloid leukemia (AML) or myelodysplastic syndrome (MDS) [1][2].
SJM-3
SJM-3 is a positive allosteric modulator of different isoforms of the GABAA receptor. SJM-3 binds at the high-affinity benzodiazepine binding site at the α+/γ- subunit interface[1].
(1s,3s,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one
3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-4-methoxy-4-oxobutanoic acid
7-hydroxy-5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-4,5,6-trihydroxyoxane-2-carboxylic acid
1-(7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl)hex-3-en-5-yn-1-yl acetate
6-hydroxy-2-methyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1r,3r,4r,5r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(12r)-12-(2h-1,3-benzodioxol-5-yl)-8-hydroxy-7-methoxy-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
3-acetyl-5-hydroxy-7-methoxy-9,10-dioxoanthracen-2-yl acetate
1,6-dihydroxy-10a-(methylsulfanyl)-3-(phenylmethylidene)-5ah,6h,10h-pyrazino[1,2-a]indol-4-one
(1r,2s,3s,4ar,9as)-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
5-hydroxy-3-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
1-(cyanooxy)-n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methanimidothioic acid
(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate
(16s,17s,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one
(1r,3r,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(3r,6r)-3-benzyl-6-(hydroxymethyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
6-methoxy-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
1,3-caffeoylquinic acid
{"Ingredient_id": "HBIN001150","Ingredient_name": "1,3-caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,11-dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1h-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid,9ci; me ester
{"Ingredient_id": "HBIN006896","Ingredient_name": "3,11-dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1h-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid,9ci; me ester","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8469","PubChem_id": "NA","DrugBank_id": "NA"}
[3-4] Chlorogenic acid
{"Ingredient_id": "HBIN007329","Ingredient_name": "[3-4] Chlorogenic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34260","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ⅰ,3- O- Caffeoylquinic acid
{"Ingredient_id": "HBIN009283","Ingredient_name": "\u2160,3- O- Caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40895","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-caffeoyl-d-quinic acide
{"Ingredient_id": "HBIN010756","Ingredient_name": "4-o-caffeoyl-d-quinic acide","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4- O- caffeoylquinic acid)
{"Ingredient_id": "HBIN010758","Ingredient_name": "4- O- caffeoylquinic acid)","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40095","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-caffeoylquinic acid
{"Ingredient_id": "HBIN011483","Ingredient_name": "5-caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "354.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12310830","DrugBank_id": "NA"}
6-aldehydoisoophiopogone a
{"Ingredient_id": "HBIN012178","Ingredient_name": "6-aldehydoisoophiopogone a","Alias": "6-aldehydo-isoophiopogone a","Ingredient_formula": "C19H14O7","Ingredient_Smile": "CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O","Ingredient_weight": "354.315","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "875","TCMSP_id": "NA","TCM_ID_id": "7584","PubChem_id": "NA","DrugBank_id": "NA"}
6-aldehydo-isoophipogonone a
{"Ingredient_id": "HBIN012180","Ingredient_name": "6-aldehydo-isoophipogonone a","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-dihydroxycoumarin-7-o-β-d-glucuronide
{"Ingredient_id": "HBIN012984","Ingredient_name": "7,8-dihydroxycoumarin-7-o-\u03b2-d-glucuronide","Alias": "NA","Ingredient_formula": "C15H14O10","Ingredient_Smile": "C1=CC(=C(C2=C1C=CC(=O)O2)O)OC3C(C(C(C(O3)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-β-d-glucopyranosyl-6-hydroxy-2-methyl-4h-1-benzopyran-4-one
{"Ingredient_id": "HBIN013850","Ingredient_name": "8-o-\u03b2-d-glucopyranosyl-6-hydroxy-2-methyl-4h-1-benzopyran-4-one","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α- glucosidase inhibitor
{"Ingredient_id": "HBIN015530","Ingredient_name": "\u03b1- glucosidase inhibitor","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "CC1=CC(=O)C2=C(C(=C(C=C2O1)O)C3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33036","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anadanthoflavone
{"Ingredient_id": "HBIN015971","Ingredient_name": "anadanthoflavone","Alias": "NA","Ingredient_formula": "C19H14O7","Ingredient_Smile": "COC(=O)C=CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1131","TCMSP_id": "NA","TCM_ID_id": "10065;10066;10067;10068","PubChem_id": "NA","DrugBank_id": "NA"}
