Exact Mass: 328.0946836
Exact Mass Matches: 328.0946836
Found 500 metabolites which its exact mass value is equals to given mass value 328.0946836,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bergenin
Bergenin is a trihydroxybenzoic acid. It has a role as a metabolite. Bergenin is a natural product found in Ficus racemosa, Ardisia paniculata, and other organisms with data available. A natural product found in Cenostigma gardnerianum. C26170 - Protective Agent > C275 - Antioxidant Annotation level-1 Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2]. Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2].
Peonoside
Paeonoside is a glycoside. Paeonoside is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available.
Ophiogonanone A
Ophiopogonanone A is a homoflavonoid. Ophiopogonanone A is a natural product found in Ophiopogon japonicus with data available. Ophiopogonanone A is a homoisoflavonoidal compound isolated as a constitutent of Ophiopogonis tuber[1]. Ophiopogonanone A is a homoisoflavonoidal compound isolated as a constitutent of Ophiopogonis tuber[1].
7-Hydroxy-6-methyl-8-ribityl lumazine
7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine. [HMDB] 7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine.
Anisatin
ANIASATIN, also known as shikimin, is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. ANIASATIN is soluble (in water) and a very weakly acidic compound (based on its pKa). Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
Betagarin
Constituent of the leaves of sugar beet (Beta vulgaris) infected with Cercospora beticola. Betagarin is found in red beetroot, common beet, and root vegetables. Betagarin is found in common beet. Betagarin is a constituent of the leaves of sugar beet (Beta vulgaris) infected with Cercospora beticola
7-Hydroxy-2,4,5-trimethoxyisoflavone
A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 7 and methoxy groups at the 2, 4 and 5 positions.
SEPHCHC
Salvigenin
Salvigenin, also known as psathyrotin or 7-O-methylpectolinarigenin, is a member of the class of compounds known as 7-O-methylated flavonoids. 7-O-Methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, salvigenin is considered to be a flavonoid lipid molecule. Salvigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Salvigenin has been detected, but not quantified in, several different foods, such as rosemaries, mandarin orange (clementine, tangerine), common sages, sweet basils, and peppermints. This could make salvigenin a potential biomarker for the consumption of these foods. BioTransformer predicts that salvigenin is a product of tetramethylscutellarein metabolism via an O-dealkylation reaction catalyzed by CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP2E1, and CYP3A4 enzymes (PMID: 30612223). Salvigenin, also known as 5-hydroxy-6,7,4-trimethoxyflavone or 7-O-methylpectolinarigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, salvigenin is considered to be a flavonoid lipid molecule. Salvigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Salvigenin can be found in a number of food items such as sweet basil, mandarin orange (clementine, tangerine), common sage, and peppermint, which makes salvigenin a potential biomarker for the consumption of these food products. Salvigenin is a trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4, 6, and 7 are replaced by methoxy groups. It has a role as an autophagy inducer, an apoptosis inhibitor, an antilipemic drug, an immunomodulator, an antineoplastic agent, a neuroprotective agent, a hypoglycemic agent and a plant metabolite. It is a trimethoxyflavone and a monohydroxyflavone. It is functionally related to a scutellarein. Salvigenin is a natural product found in Liatris elegans, Achillea santolina, and other organisms with data available. See also: Tangerine peel (part of). A trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4, 6, and 7 are replaced by methoxy groups. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2]. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2].
Dihydromelilotoside
Dihydromelilotoside is found in herbs and spices. Dihydromelilotoside is isolated from Chinese cinnamon. Isolated from Chinese cinnamon. Dihydromelilotoside is found in herbs and spices.
7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
7-Hydroxy-3,4',8-trimethoxyflavone
7-Hydroxy-3,4,8-trimethoxyflavone is found in pulses. 7-Hydroxy-3,4,8-trimethoxyflavone is a constituent of the leaves of the famine food Parkia clappertoniana. Constituent of the leaves of the famine food Parkia clappertoniana. 7-Hydroxy-3,4,8-trimethoxyflavone is found in pulses.
Americanin A
Constituent of Phytolacca americana (pokeberry). Americanin A is found in fruits, green vegetables, and american pokeweed. Americanin A is found in american pokeweed. Americanin A is a constituent of Phytolacca americana (pokeberry)
5-Hydroxy-4,4',6-trimethoxyaurone
5-Hydroxy-4,4,6-trimethoxyaurone is found in fats and oils. 5-Hydroxy-4,4,6-trimethoxyaurone is isolated from the flowers of Helianthus annuus (sunflower). Isolated from the flowers of Helianthus annuus (sunflower). 5-Hydroxy-4,4,6-trimethoxyaurone is found in sunflower and fats and oils.
Isoamericanin A
Isoamericanin A is found in american pokeweed. Isoamericanin A is isolated from seeds of Phytolacca americana (pokeberry). Isolated from seeds of Phytolacca americana (pokeberry). Isoamericanin A is found in fruits and american pokeweed.
5-Hydroxy-4',7,8-trimethoxyflavone
5-Hydroxy-4,7,8-trimethoxyflavone is found in citrus. 5-Hydroxy-4,7,8-trimethoxyflavone is from the peel of Citrus reticulata (mandarin). From the peel of Citrus reticulata (mandarin). 7,8,4-Trimethylisoscutellarein is found in citrus.
Zapotinin
Zapotinin is found in pomes. Zapotinin is a constituent of Casimiroa edulis (Mexican apple)
Morusignin B
Morusignin B is found in fruits. Morusignin B is a constituent of Morus insignis (mangosteen). Constituent of Morus insignis (mangosteen). Morusignin B is found in fruits.
Garbogiol
Garbogiol is a constituent of Garcinia cambogia. Constituent of Garcinia cambogia.
Americanin D
Constituent of Phytolacca americana (pokeberry). Americanin D is found in fruits and green vegetables. Americanin D is found in fruits. Americanin D is a constituent of Phytolacca americana (pokeberry).
3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is found in pulses. Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is isolated from the root exudates of iron-deficient Medicago sativa (alfalfa). Isolated from the root exudates of iron-deficient Medicago sativa (alfalfa). Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate is found in pulses.
Ugaxanthone
Ugaxanthone is found in fruits. Ugaxanthone is a constituent of Garcinia dulcis (mundu)
3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid
Frenolicin B
Antibiotic feed additive especially for poultry and pigs. Antibiotic feed additive especies for poultry and pigs.
8-Hydroxy-4',5,7-trimethoxyflavone
8-Hydroxy-4,5,7-trimethoxyflavone is a constituent of Citrus sp. [CCD]. Constituent of Citrus species [CCD]
Ethylvanillin glucoside
Ethylvanillin glucoside is a flavouring ingredient with vanilla aroma. Flavouring ingredient with vanilla aroma
6-Sulfatoxymelatonin
6-sulfatoxymelatonin belongs to the family of Serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(4-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Vanillin glucuronide
N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide
C17H16N2O3S (328.08815860000004)
3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
6-{3-[(Pyridin-2-yl)disulfanyl]propanamido}hexanoic acid
8-Nitroguanosine
bergenin
Girisopam
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
n-(3,4-Dichlorophenyl)-n-[(1r,2s)-2-(dimethylamino)cyclopentyl]propanamide
Tubulin Polymerization Inhibitor
(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
C15H21ClN2O2S (328.10121960000004)
Androsin
Androsin is a natural product found in Justicia adhatoda, Penstemon pinifolius, and other organisms with data available. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1]. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1].
2,5-Furandione, 3,4-di-1H-indol-3-yl-
C20H12N2O3 (328.08478820000005)
3-Hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
10-Bromo-5,10-epoxy-3,8-chamigradiene-2,7-diol
C15H21BrO3 (328.06739760000005)
1,3,6,7-Tetrahydroxy-8-(3-methylbut-2-enyl)xanthone
10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol
C15H21BrO3 (328.06739760000005)
3-Hydroxy-5,7,4-trimethoxyflavone
3-Hydroxy-5,7,4′-trimethoxyflavone is a flavonol can be isolated from Cucubalus baccifer (L.)[1].
hyperxanthone E
A pyranoxanthene that is 2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one substituted by hydroxy groups at positions 5, 9 and 11 and geminal methyl groups at position 3. Isolated from the aerial parts of Hypericum scabrum, it exhibits cytotoxicity for human tumour cells.
Luteolin 7,3,4-trimethyl ether
7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1]. 7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1].
3,7,4-Tri-O-methylkaempferol
Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
5-Hydroxy-7,2,5-trimethoxyflavone
5-Hydroxy-7,2,6-trimethoxyflavone
6,8-Di-C-methylluteolin 7-methyl ether
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
3-(4-methoxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-one
3-Formyl-2,6,beta-trihydroxy-4-methoxy-5-methylchalcone
Betagarin
An extended flavonoid that is 6,7-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 2 respectively.
Salvigenin
Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2]. Salvigenin is a natural polyphenolic compound, with neuroprotective effect. Salvigenin has antitumor cytotoxic and immunomodulatory properties. Salvigenin inhibits H2O2-induced cell apoptosis[1][2].
6-Hydroxy-5,7,4-trimethoxyflavone
Isoscutellarein 7,8,4-trimethyl ether
2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
C17H16N2OS2 (328.07040059999997)
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
5-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide
O2-(4-Methoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydroximamide
N3-(2-methoxyphenyl)-5-(2-phenyleth-1-ynyl)nicotinamide
C21H16N2O2 (328.12117159999997)
3-HYDROXY-3,4,5-TRIMETHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.258 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.259 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.257
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
5,9,10-trihydroxy-1,2,2-trimethyl-1,2-dihydro-6h-furo[2,3-c]xanthen-6-one
1??,2??-Epoxy-10??-hydroperoxy-3??,4??,8??-trihydroxyguaia-11(13)-en-12,6??-olide
4-(1,1-Dimethyl-2-propenyl)-1,3,5,8-tetrahydroxy-9H-xanthene-9-one
1,3,7-trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone
(2R)-2-(4-O-beta-D-glucopyranosylphenyl)propionic acid
(R)-3,5-dihydroxy-4,7-dimethoxyspiro[2H-1-benzopyran-3(4H),7-bicyclo[4.2.0]-octa[1,3,5]-trien]-4-one
(2R)-3-hydroxy-2-phenylpropionyl beta-D-glucopyranoside
5,7-Dihydroxy 3,4-dimethoxyspiro[chroman-3,7-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one
(3R)-4,6-dimethoxy-3-[4-oxo-6-{(1E)-prop-1-en-1-yl}-4-H-pyran-3-yl]-2-benzofuran-1(3H)one|Fijiensin|Vermistatin
4-Me ether-Punctatin+|4-O-Methyl-punctatin|5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyliden)-chroman-4-on
(2S)-2-hydroxyneomajucin|(2S)-hydroxyneomajucin|(2S*)-hydroxyneomajucin
1-O-ethyl-6-(p-hydroxybenzoyl)-beta-D-glucopyranoside|Ethyl (6-O-p-hydroxybenzoyl)-??-D-glucopyranoside
(2S)-3-O-beta-D-glucopyranosyl-2-phenylpropionic acid
(E)-16-bromohexadec-15-en-5-ynoic acid
C16H25BrO2 (328.10378099999997)
(E)-caffeyl alcohol 4-O-beta-glucopyranoside|BJ-83|coniferin|Demethyl coniferin
5-Me ether,1-Et ether-1,3,5-Trihydroxy-2-hydroxymethylanthraquinone
4,9-Dihydroxyphenazine-1,6-dicarboxylic acid dimethyl ester
N-<4-Hydroxy-phenyl>-harnstoff-O-glucosiduronsaeure|O1-(4-ureido-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Ureido-phenyl)-beta-D-glucopyranuronsaeure
O1-(2-Carbazoyl-phenyl)-beta-D-glucopyranuronsaeure|O1-(2-hydrazinocarbonyl-phenyl)-beta-D-glucopyranuronic acid
(S)-8-formyl-3,5-dihydroxy-7-methoxy-6-methylflavanone
Diplotrin C
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 2 and methoxy groups at positions 7, 4 and 5. It has been isolated from the aerial parts of Mimosa diplotricha.
1-Hydroxy-2,3,4-trimethoxy-7-methylanthracene-9,10-dione
6-hydroxy-2,7,8-trimethoxy-9,10-dihydro-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinone
7-Hydroxy-3-(2-hydroxyphenyl)-5,6-dimethoxy-8-methyl-4H-1-benzopyran-4-one
6-Hydroxy-3-(2-hydroxyphenyl)-5,7-dimethoxy-8-methyl-4H-1-benzopyran-4-one
1-(3,5-dihydroxy-2-methylphenyl)ethanone-5-O-beta-D-glucopyranoside|monspelioside
1-(3,5-dihydroxyphenyl)propan-2-one 3-O-beta-glucopyranoside|grammatophylloside D
1-(2-hydroxy-6-methylphenyl)-2-hydroxyethanone 2-O-beta-D-glucopyranoside|juniperoside V
2-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-6,8-dihydroxychromone
1,3-dihydroxy-6-(2-hydroxypropyl)-8-methoxyanthracene-9,10-dione
(7Z)-9-nor-3,4,4-trihydroxy-3-methoxylign-7-ene-9,7-lactone|tectonoelin A
Kaempferol 3,7,4-trimethyl ether
Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
4,5-dihydro-1,6,7-trihydroxy-4,4,5-trimethylfurano(2,3:3,4)xanthone
2,3,4-trimethoxy-phenazine-1-carboxylic acid methyl ester|2.3.4-Trimethoxyphenazin-1-carbonsaeuremethylester
5-hydroxy-7-methoxy-6-methyl-3-(3,4-dihydroxybenzyl)chromone|7-Me ether-3-(3,4-Dihydroxybenzl)-5,7-dihydroxy-6-methylchromone
(2S)-2-(4-hydroxyphenyl)propionyl beta-D-glucopyranoside
dihydrocinnacasside|o-hydroxyphenylpropanoyl O-beta-D-glucopyranoside
2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylic Acid
8-hydroxy-1,2,3-trimethoxy-6-methylanthracene-9,10-dione
2-(1-propen-1-yl)-4-hydroxymethyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
2-hydroxy-1,3,7-trimethoxy-6-methy1-9,10-anthraquinone|6-hydroxy-3,5,7-trimethoxy-2-methy1-9,10-anthraquinone|chionone
9-Acetoxymethyl-2-amino-3-oxo-3H-phenoxazin-1-carbonsaeure|9-acetoxymethyl-2-amino-3-oxo-3H-phenoxazine-1-carboxylic acid|O-acetyl cinnabarine
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1 ,3-propanedione
2,8-dimethoxy-6-methyl-9-oxo-9h-xanthene-1-carboxylic acid methyl ester
2-(2-Methoxy-4-hydroxyphenyl)-5,6-dimethoxybenzofuran-3-carbaldehyde
(Z)-8-[(4-acetoxy-3-methyl-2-butenyl)oxy]psoralen|(Z)-trichoclin acetate
7-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone|7-O-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone
4,7-Dihydroxy-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthene-5-one
O1-(4-Carbazoyl-phenyl)-beta-D-glucopyranuronsaeure|O1-(4-hydrazinocarbonyl-phenyl)-beta-D-glucopyranuronic acid
4-Me ether,2-O-beta-D-glucopyranoside-2,4-Dihydroxyacetophenone,
2,7-Di Me,4,5-methylene ether-2,4,5,7-Tetrahydroxyflavanone|7,2-Dimethoxy-4,5-methylenedioxy-flavone
(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo<6.2.1.05,11>undecan|(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo[6.2.1.05,11]undecan
2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
Biliatresone
Biliatresone is a member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted at positions 5 by a 2-(2-hydroxyphenyl)-3-oxoprop-1-en-3-yl group and at positions 4 and 6 by methoxy groups. A very rare type of isoflavonoid-related 1,2-diaryl-2-propenone found in Dysphania glomulifera (red crumbweed) and D. littoralis, the enone moiety is particularly reactive, undergoing ready Michael addition of water and methanol. Biliatresone has been found to cause extrahepatic biliary atresia (obliteration or discontinuity of the extrahepatic biliary system, resulting in obstruction to bile flow) in a zebrafish model. It has a role as a toxin and a plant metabolite. It is a member of benzodioxoles, an enone, an aromatic ketone, an aromatic ether and a member of phenols. A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted at positions 5 by a 2-(2-hydroxyphenyl)-3-oxoprop-1-en-3-yl group and at positions 4 and 6 by methoxy groups. A very rare type of isoflavonoid-related 1,2-diaryl-2-propenone found in Dysphania glomulifera (red crumbweed) and D. littoralis, the enone moiety is particularly reactive, undergoing ready Michael addition of water and methanol. Biliatresone has been found to cause extrahepatic biliary atresia (obliteration or discontinuity of the extrahepatic biliary system, resulting in obstruction to bile flow) in a zebrafish model.
1,5,15-Trimethylmorindol
1,5,15-Tri-O-methylmorindol is a natural product found in Morinda citrifolia with data available.
ACon1_000906
Kaempferol 3,7,4-trimethyl ether is a natural product found in Aeonium lindleyi, Helichrysum cephaloideum, and other organisms with data available. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
Gonzalitosin I
5-Hydroxy-3,4,7-trimethoxyflavone is a natural product found in Lantana montevidensis, Leucas cephalotes, and other organisms with data available. 7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1]. 7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone), a flavonoid compound, possesses potent anti-inflammatory effects in LPS-induced macrophage cell line mediated by inhibition of release of inflammatory mediators, NO, PGE2, and pro-inflammatory cytokines. 7,3',4'-Tri-O-methylluteolin significantly induces reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2[1].
Anisatin
A sesquiterpene lactone with formula C15H20O8. It is a neurotoxic natural product found in plants of the family Illiciaceae. Anisatin is a natural product found in Illicium henryi, Illicium simonsii, and other organisms with data available. Anisatin is a plant toxin found in the Japanese star anise (Illicium anisatum). The Japanese star anise has been burned as incense in Japan, where it is known as shikimi, as well as used in topical folk remedies. (L1226) Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
Liranaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Liranaftate (Piritetrate) is a squalene epoxidase inhibitor with anti-fungicidal activities. Liranaftate can be used for the research of dermatophytes. Liranaftate also suppresses fungal element-promoted production of IL-8 and experimental inflammation[1][2][3][4].
6-Methyl-5,7a,13,13b-tetraaza-pentaphene-8,14-dione
Kaempferol-3,4,7-trimethyl ether
Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1]. Kaempferol 3,7,4'-trimethyl ether is a flavonol aglycone isolated from the leaves of Siparuna gigantotepala, has antioxidant activity[1].
Paeonoside
Paeonoside is a glycoside. Paeonoside is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available.
C15H20O8_4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside
C15H20O8_2-Acetyl-5-hydroxy-3-methylphenyl beta-D-glucopyranoside
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one_major
5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester
Americanin
Isoamericanin A
UCF76 C
Americanin D
5-Hydroxy-4,4',6-trimethoxyaurone
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate
6-Sulfatoxymelatonin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-(4-Hydroxyphenyl)-3-oxopropyl ?-D-glucopyranoside
2H-1-Benzopyran-2-one,4-hydroxy-5,7-dimethoxy-3-(4-methoxyphenyl)-
1-(METHYLAMINO)-4-(PHENYLAMINO)ANTHRACENE-9,10-DIONE
C21H16N2O2 (328.12117159999997)
Sulfapyrazole
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(3-BROMOPHENOXY)TRIISOPROPYLSILANE 97
C15H25BrOSi (328.08579399999996)
Tetrakis(dimethylsilyl) Orthosilicate
C8H28O4Si5 (328.08338879999997)
3-BENZYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C17H16N2OS2 (328.07040059999997)
(2,4-dimethoxyphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
C16H12F4O3 (328.07225299999993)
1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
ethyl 2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-oxo-butanoat e
C14H20N2O5S (328.10928700000005)
1-Benzyl-2-(perfluoropropyl)-4,5-dihydro-1H-imidazole
C13H11F7N2 (328.08104099999997)
3-[AMINO(2-CHLOROPHENYL)METHYL]-2-INDOLECARBOXYLIC ACID ETHYL ESTER
9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one
6-Methyl-2-pyridinyl 2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
C14H20N2O5S (328.10928700000005)
2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
C17H16N2OS2 (328.07040059999997)
2,6-DI(OXIRAN-2-YLMETHYL)-1,2,3,5,6,7-HEXAHYDROPYRROLO[3,4-F]ISOINDOLE-1,3,5,7-TETRAONE
TSQ
C17H16N2O3S (328.08815860000004)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(2S,11bR)-10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
benzyl 3-fluoro-4-(3-oxopyrrolidin-1-yl)phenylcarbamate
C18H17FN2O3 (328.12231440000005)
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate
2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenedioic acid
clorexolone
C14H17ClN2O3S (328.06483620000006)
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic
2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C17H16N2OS2 (328.07040059999997)
3,4-DI(FURAN-2-YL)-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
C21H16N2O2 (328.12117159999997)
Betahistine mesilate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine mesylate is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine mesylate is used for the study of rheumatoid arthritis (RA)[3].
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
(3aR,4aS,7S,8aS)-7-Bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-furo[3,4-b][1]benzoxepin-1(3H)-one
C15H21BrO3 (328.06739760000005)
Thiazolidine, 2-(4-methylphenyl)-3-(4-nitrobenzoyl)- (9CI)
C17H16N2O3S (328.08815860000004)
2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE
C17H16N2OS2 (328.07040059999997)
2-(3,4-Dimethoxy-phenyl)-7-hydroxy-5-methoxy-chromen-4-one
METHYL 2-([[2-(ETHYLTHIO)-3-PYRIDYL]CARBONYL]AMINO)-4-(METHYLTHIO)BUTANOATE
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
Piperazine, 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
C13H16ClF3N2.ClH (328.07208180000003)
2-[2-(2-Mercaptoethoxy)ethoxy]ethyl alpha-D-galactopyranoside
4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid 1,1-dimethylethyl ester
C18H17FN2O3 (328.12231440000005)
N-(2-fluorophenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]urea
C15H12F4N2O2 (328.08348599999994)
2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]BENZOIC ACID
C14H20N2O5S (328.10928700000005)
benzyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C17H16N2O3S (328.08815860000004)
N-Methyl-1-(phenylmethyl)-1H-indole-5-ethanesulfonamide
6,7,8-Trifluor-1-(formylmethylamino)-1,4-dihydro-4-oxo-3-chinolincarbonsaeure-ethylester
N-(5-Aminopentyl)-1-naphthalenesulfonamide Hydrochloride
C15H21ClN2O2S (328.10121960000004)
Oxazolam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
C20H12N2O3 (328.08478820000005)
[4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine
(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
C15H21ClN2O2S (328.10121960000004)
beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
C17H16N2O3S (328.08815860000004)
3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
C17H16N2O3S (328.08815860000004)
3,4-dimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
C17H16N2O3S (328.08815860000004)
3-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-2-methylchromen-4-one
(4r)-7-Chloro-9-Methyl-1-Oxo-1,2,4,9-Tetrahydrospiro[beta-Carboline-3,4-Piperidine]-4-Carbonitrile
2-[3-[(4-ethoxycarbonylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]acetic Acid
(6aS)-6,6aalpha-Dihydro-2,3-dimethoxy-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(12aalphaH)-one
(R)-2-[3-(4-Hydroxyphenyl)acryloyloxy]-3-(4-hydroxyphenyl)propionic acid
(1R,5S,6S)-5-(1-carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid
[(2R,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-hydroxy-3-phenylpropanoate
5-[(E)-3-(2-carboxy-4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenolate
C17H14NO6- (328.08210840000004)
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-1H-purin-6-one
5-(1-Carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid
(1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid
1-[2-(Difluoromethoxy)-4-methylphenyl]-3-(2,4-difluorophenyl)urea
C15H12F4N2O2 (328.08348599999994)
3-Hydroxy-4,6,4-trimethoxyaurone
A methoxyaurone that is aurone substituted by methoxy groups at positions 4, 6 and 4 and a hydroxy group at position 3 respectively. It has been isolated from the roots of Cyperus teneriffae.
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
C17H16N2O3S (328.08815860000004)
5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
C18H16O4S (328.07692560000004)
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide
(2R,3S,4S,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one
4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
5-[2-(6-Hydroxy-3-methyl-2-benzofuranyl)-2-oxoethyl]-2-furancarboxylic acid ethyl ester
(3,5-Dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone
C14H20N2O5S (328.10928700000005)
[[1-[(4-Fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
6-(hydroxymethyl)-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4(3H,8H)-dione
N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamide
C15H21ClN2O2S (328.10121960000004)
N-{[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N-phenylurea
2-[[1-(4-Methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester
4-[[[2-(3-Methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
3-[(2-Chlorophenyl)methyl]-5-methyl-7-(1-pyrrolidinyl)triazolo[4,5-d]pyrimidine
(E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
2-(3-Phenyl-1-indazolyl)acetic acid phenyl ester
C21H16N2O2 (328.12117159999997)
N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
3-{[2-(4-methoxyphenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
C15H20O6S (328.09805400000005)
1-[4-[2-(2-Propan-2-ylidenehydrazinyl)-4-thiazolyl]phenyl]pyrrolidine-2,5-dione
3-methylbut-2-enyl [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
C11H21O9P (328.09231460000007)
N-[2-[bis(trideuteriomethyl)amino]cyclohexyl]-3,4-dichloro-N-methylbenzamide
5-Methoxy-3-methyl-2-benzofurancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester
Diphosphoric acid alpha-[(Z)-2,3,7-trimethyl-2,6-octadienyl] ester
3,4,5-Trihydroxy-6-[2-(3-hydroxyphenyl)acetyl]oxyoxane-2-carboxylic acid
6-(5-Ethenyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-Ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-methylchromen-4-one
2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
3-methoxy-N-[(Z)-[2-(2,2,2-trifluoroacetyl)cyclopentylidene]amino]benzamide
C15H15F3N2O3 (328.10347160000003)
6-(4-Ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S)-2-amino-6-[[(3R)-4-hydroxy-2-oxo-3-phosphonooxybutyl]amino]hexanoic acid
6-Methylpyrimido[2,1-b:4,3-b]diquinazoline-9,16-dione
9-Acetoxy-4,4-ethylenedioxy-1-methoxycarbonyl-9-methyl-7-oxabicyclo(4.3.0)nonan-8-one
1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
(1S,2R,4R,5R,6S,7R,8S,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3-oxetane]-2,10-dione
Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-Hydroxy-4,5,7-trimethoxyflavone
A trimethoxyflavone that is the 5,7,4-trimethyl ether derivative of scutellarein.
avenanthramide B(1-)
C17H14NO6 (328.08210840000004)
A hydroxybenzoate that is the conjugate base of avenanthramide B, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
3,4-Dichloro-N-[(1-dimethylaminocyclohexyl)methyl]benzamide
3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
ERK-IN-4
C14H17ClN2O3S (328.06483620000006)
ERK-IN-4 is an ERK inhibitor binds preferentially to ERK2 with a Kd of 5 μM. ERK-IN-4 specificity inhibits ERK Rsk-1 and Elk-1 phosphorylation. ERK-IN-4 has little effect on ERK protein phosphorylation by its upstream activator MEK1/2[1].