Exact Mass: 386.0813
Exact Mass Matches: 386.0813
Found 418 metabolites which its exact mass value is equals to given mass value 386.0813,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irisfloretin
Irisflorentin is a member of 4-methoxyisoflavones. Irisflorentin is a natural product found in Iris tectorum, Iris leptophylla, and other organisms with data available. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1]. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1].
CleomiscosinA
Cleomiscosin A is an organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a delta-lactone, an aromatic ether, an organic heterotricyclic compound, a member of phenols and a primary alcohol. Cleomiscosin A is a natural product found in Hibiscus syriacus, Artemisia minor, and other organisms with data available. An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2]. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2].
1-O-Sinapoyl-beta-D-glucose
1-o-sinapoyl-beta-d-glucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-sinapoyl-beta-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-sinapoyl-beta-d-glucose can be found in a number of food items such as white cabbage, corn, common pea, and cabbage, which makes 1-o-sinapoyl-beta-d-glucose a potential biomarker for the consumption of these food products. Acquisition and generation of the data is financially supported in part by CREST/JST.
Sinapic acid-O-glucoside
5-5'-Dehydrodiferulic acid
5-5-dehydrodiferulic acid, also known as 8-O-4-diferulic acid, belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. 5-5-dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-5-dehydrodiferulic acid can be found in a number of food items such as corn, common wheat, semolina, and hard wheat, which makes 5-5-dehydrodiferulic acid a potential biomarker for the consumption of these food products.
O-Feruloylgalactarate
7-Glutarylaminocephalosporanate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(S)-5-oxoaverantin
A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxy-5-oxohexyl substituent at position 2 (the S-enantiomer).
versicolorone tricyclic form
The tricyclic anthraquinone form of versicolorone.
1-O-Sinapoylglucose
Present in rhubarb (Rheum rhaponticum) and cabbage (Brassica oleracea). 1-O-Sinapoylglucose is found in brussel sprouts, brassicas, and green vegetables. 1-O-Sinapoylglucose is found in brassicas. 1-O-Sinapoylglucose is present in rhubarb (Rheum rhaponticum) and cabbage (Brassica oleracea).
Shoyuflavone A
Shoyuflavone A is found in herbs and spices. Shoyuflavone A is isolated from fermented soy sauce. Shoyuflavone A is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone A is found in herbs and spices.
8-8'-Dehydrodiferulic acid
8-8-Dehydrodiferulic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Dehydrodiferulic dilactone
Dehydrodiferulic dilactone is found in cereals and cereal products. Dehydrodiferulic dilactone is a constituent of the cell walls of wheat and barley. Constituent of the cell walls of wheat and barley. Dehydrodiferulic dilactone is found in cereals and cereal products.
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid is found in cereals and cereal products. 3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid is isolated by saponification from wheat bran, cocksfoot, switch grass and cultured corn cells. Antioxidant. Isol. by saponification from wheat bran, cocksfoot, switch grass and cultured corn cells. Antioxidant. (7R*,8S*)-4,7-Epoxy-3,8-bilign-7-ene-4-hydroxy-3,5-dimethoxy-9,9-dioic acid is found in cereals and cereal products.
Lithol Rubine
Lithol Rubine is a food dye.
3,4-Dihydroxyphenylvaleric acid 3 glucuronide
3,4-Dihydroxyphenylvaleric acid 4 glucuronide
3,5-Dihydroxyphenylvaleric acid glucuronide
N-Methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide
Methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
7-Chloro-1-(2,2,2-trifluoroethyl)-3-hydroxy-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one
Fosfluconazole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C254 - Anti-Infective Agent > C514 - Antifungal Agent
Zinquin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
5-8'-Dehydrodiferulic acid
5-8-dehydrodiferulic acid is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 5-8-dehydrodiferulic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-8-dehydrodiferulic acid can be found in a number of food items such as corn, common wheat, rye, and semolina, which makes 5-8-dehydrodiferulic acid a potential biomarker for the consumption of these food products. 8,5-Diferulic acid is a non cyclic type of diferulic acid. It is the predominant diferulic acid in sugar beet pulp. It is also found in barley, in maize bran and rye. 8-5-Diferulic acid has also been identified to be covalently linked to carbohydrate moieties of the arabinogalactan-protein fraction of gum arabic .
8-4'-Dehydrodiferulic acid
8-4-dehydrodiferulic acid belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 8-4-dehydrodiferulic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 8-4-dehydrodiferulic acid can be found in a number of food items such as corn, semolina, common wheat, and hard wheat, which makes 8-4-dehydrodiferulic acid a potential biomarker for the consumption of these food products.
5-8'-Benzofuran dehydrodiferulic acid
5-8-benzofuran dehydrodiferulic acid is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-8-benzofuran dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-8-benzofuran dehydrodiferulic acid can be found in a number of food items such as hard wheat, common wheat, corn, and rye, which makes 5-8-benzofuran dehydrodiferulic acid a potential biomarker for the consumption of these food products.
2-trans-O-Feruloylglucaric acid
2-trans-o-feruloylglucaric acid belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 2-trans-o-feruloylglucaric acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-trans-o-feruloylglucaric acid can be found in sweet orange, which makes 2-trans-o-feruloylglucaric acid a potential biomarker for the consumption of this food product.
4'-O-Glucopyranosylsinapic acid
4-o-glucopyranosylsinapic acid is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4-o-glucopyranosylsinapic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-glucopyranosylsinapic acid can be found in a number of food items such as green bell pepper, red bell pepper, italian sweet red pepper, and yellow bell pepper, which makes 4-o-glucopyranosylsinapic acid a potential biomarker for the consumption of these food products.
buddlenol C
Moluccanin
Moluccanin is a coumarinolignoid from Aleurites moluccana[1].
Cleomiscosin B
Cleomiscosin B is a natural product found in Diatenopteryx sorbifolia, Erycibe obtusifolia, and other organisms with data available.
8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Irisflorentin
Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1]. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1].
5,6,7,8-Tetramethoxy-3,4-methylenedioxyisoflavone
A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5, 6, 7 and 8 and methylenedioxy group across positions 3 and 4.
4-(Methylthio)-2-phenyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile
3-(2-Chloroanilino)-2-{[3-(methylthio)-6,7-dihydrobenzo[c]thiophen-1-yl]carbonyl}acrylonitrile
(1RS,2RS,3SR,4RS)-Penta-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
methyl <(6,7-dichloro-2-(trans-3-hydroxycyclopentyl)-2-methyl-1-oxo-5-indanyl)oxy>acetate|methyl {[6,7-dichloro-2-(trans-3-hydroxycyclopentyl)-2-methyl-1-oxo-5-indanyl]oxy}acetate
3-(2,4,7-trioxo-8-pentitol-1-yl-1,2,3,4,7,8-hexahydro-pteridin-6-yl)-propionic acid|Putidolumazin, 6-(2-Carboxy-aethyl)-8-ribityl-1H,3H,8H-pteridin-2,4,7-trion
cis-3,6-dibenzyl-3,6-bis(methylthio)piperazine-2,5-dione|Emethacin B
5,5-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[1,3-benzodioxol-4-ol]|sesamin-2,2-diol
(7E,7E)-8,5-diferullic acid|(E, E)-form-alpha, 5-Biferulic acid|(E,E)-4,4-dihydroxy-3,5-dimethoxy-beta,3-bicinnamic acid
7-methoxy-5,6,8-trihydroxycoumarin-5-beta-glucopyranoside
3,6-Bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol
2-Acetoxy-3,7,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
6-(1-O-alpha-L-rhamanopyranosyl)-phenazine-1-carboxylic acid|izuminoside A
phrymarolin V|rel-(1R,3aR,4S,6aS)-1-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-yloxy)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol
5-Hydroxy-3,8-dimethoxy-4,5:6,7-bis(methylenedioxy)flavone
O-(beta-D-glucopyranosyluronic acid)-(1<*>6)-D-glycero-L-manno-heptose|O-(beta-D-glucopyranosyluronic acid)-(1[*]6)-D-glycero-L-manno-heptose
5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
7H-6,11:8,9-Diepoxy-11,13a-epidioxy-8,9,10,11-tetrahydro-1,7,7-trihydroxy-9-methylcyclodeca[b]naphthalene-5,14-dione
2,3,7-trimethoxy-phenazine-1,6-dicarboxylic acid dimethyl ester|2,3,7-Trimethoxyphenazin-1,6-dicarbonsaeuredimethylester|2.3.7-Trimethoxyphenacin-1.6-dicarbonsaeuredimethylester
2alpha,5,7-trihydroxy-3beta-ethylchromanone-2-O-beta-D-glucoside|takanechromanone B
3-[4-(2-carboxyvinyl)-2-methoxyphenoxy]-4-hydroxy-5-methoxycinnamic acid
N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide
Axitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
1-O-Sinapoyl-beta-D-glucose
A glucosyl hydroxycinnamic acid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-sinapic acid with the anomeric hydroxy group of beta-D-glucose.
7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
2-[3-[3-hydroxy-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
C20H18O8_2-Furanacetic acid, 3-(3,4-dihydroxy-2,5-dimethoxy[1,1-biphenyl]-4-yl)-2,5-dihydro-5-oxo
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
1-O-Sinapoylglucose
5-(2-Carboxyvinyl)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid
1-(4-carboxybutanamido)-1-(dimethylcarbamoyl)ferrocene
2-(2-(4-ISOPROPYLPHENYL)-1,1-DIOXIDO-6-PHENYL-4H-THIOPYRAN-4-YLIDENE)MALONONITRILE
Caffeine Citrate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Piposulfan
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
2-methyl-1-[5-[4-(2-methylprop-2-enoyl)thiophen-2-yl]sulfanylthiophen-3-yl]prop-2-en-1-one
5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
3-(4-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride
6-[(3-chlorophenyl)amino]-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
6-chloro-4-ethyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
1-[(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid
CIS-(1R,3R)-1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B],INDOLE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
Homochlorcyclizine dihydrochloride
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-thiazolamine
dimethyl 4-[3,4-bis(methoxycarbonyl)phenyl]benzene-1,2-dicarboxylate
tert-Butyl 4-(3-bromo-5-nitropyridin-4-yl)piperazine-1-carboxylate
5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid
(3R,3AR,6S,6AR)-HEXAHYDROFURO[3,2-B]FURAN-3,6-DIYL BIS(4-HYDROXYBENZOATE)
3-[8-((2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-YL]propanoic acid
(1r)-4-(3-Phenoxyphenyl)-1-Phosphonobutane-1-Sulfonic Acid
Glutaryl-7-aminocephalosporanic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
8,5-diferulic acid
A polyphenol composed of two molecules of ferulic acid joined by a bond between positions 8 and 5.
N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
3-(3-Benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione
{3-[(3-Hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
Fosfluconazole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C254 - Anti-Infective Agent > C514 - Antifungal Agent
1,3,6,8-Tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-anthraquinone
1-(4-carboxybutanamido)-1-(dimethylcarbamoyl)ferrocene
5-8'-Benzofuran dehydrodiferulic acid
5-8-benzofuran dehydrodiferulic acid is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-8-benzofuran dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-8-benzofuran dehydrodiferulic acid can be found in a number of food items such as hard wheat, common wheat, corn, and rye, which makes 5-8-benzofuran dehydrodiferulic acid a potential biomarker for the consumption of these food products.
(-)-Dca-CC
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(+)-Dca-CC
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(2S)-4-[(E)-2-[(2S)-2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
(7S,9R)-9-ethyl-4,6,7,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
(2R,3S,4R,5S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexanedioic acid
3-Hydroxy-4-[(4-methyl-2-sulphophenyl)azo]-2-naphthoic acid
4-[(E)-2-(2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
8-epi-cleomiscosin A
An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2S,3R stereoisomer). An epimer of cleomiscosin A, it is isolated from the aerial parts of Rhododendron collettianum and exhibits inhibitory activity towards the enzyme tyrosinase.
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide
4-Fluorobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
3-(3-Fluoro-4-methoxyphenyl)-5-phenylfuro[3,2-g]chromen-7-one
4-Fluorobenzoic acid 4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
4-Fluorobenzoic acid 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
4-methoxy-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
(3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
N-[4-(1-piperidinylsulfonyl)phenyl]-2-thiophenesulfonamide
N-[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-1-piperazinecarboxamide
N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide
[2-[1-(1-Methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide
6-amino-1,3-dimethyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
A pyranobenzodioxin obtained by formal cyclocodensation between syringylglycerol and esculetin. It is found in Arabidopsis thaliana.
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-chlorobenzamide
6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester
5-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-3-(3-fluorophenyl)-5-methyl-4H-isoxazole
Ethyl 4-(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)piperazine-1-carboxylate
(2S)-4-{2-[(2S)-2-carboxy-5,6-dioxo-2,3,5,6-tetrahydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
ethyl (2Z)-2-[3-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
(E)-2-methylsulfonyl-3-(1-naphthalen-1-ylsulfonylpyrrol-2-yl)prop-2-enenitrile
6-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
(2S,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2R,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3S,4R)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
2-[(2R,3S,6S)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,3R,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-[(2S,3R)-6-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-[(2R,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-[(2R,3R)-6-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
6-[(4,7-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
5,7-Dihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
6-[(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[5-(2-amino-5-carbamoyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
6-[2-(2-Chlorophenoxy)ethyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3,4,5-Trihydroxy-6-[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[5-(3,5-dihydroxyphenyl)pentanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[5-(2-amino-5-carbamimidoyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
2-[3-[3-hydroxy-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
7-[3,5-Dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(2S)-versicolorone
An optically active form of tricyclic versicolorone having S-configuration.
(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid
3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7-furo[3,2-g][1]benzopyranone
Glucobrassicanapin(1-)
An alkenylglucosinolate that is the conjugate base of glucobrassicanapin.
HBT1
HBT1 is a potent α-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor (AMPA-R) potentiator. HBT1 bonds with S518 in the ligand-binding domain (LBD) of AMPA-R in a glutamate-dependent manner. HBT1 did not show remarkable bell-shaped response in brain-derived neurotrophic factor (BDNF) production in primary neurons[1].
T-705RMP (ammonium)
T-705RMP (ammonium) is the ammonium form of T-705RMP. T-705RMP (ammonium)’s the inhibition of IMP dehydrogenase (IMPDH) activity is weak [1].
3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1,4-diol
2-[4-(2-carboxyeth-1-en-1-yl)-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(1s,3as,4r,6ar)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-1,6a-diol
4-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methyl-4-oxobutanoic acid
(3s)-5-hydroxy-4',7-bis(3-methylbut-3-en-1-yn-1-yl)-2,2',5'-trioxospiro[1-benzofuran-3,1'-cyclopentan]-3'-ene-4-carbaldehyde
2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaene-3,4,5,7,10-pentol
(1s,3r,4s,5s,6s,7s,10r)-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaene-3,4,5,7,10-pentol
8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-10-one
(1r,3s,3as,4s,6s,6as)-3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1,4-diol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (3r)-3,4-dihydroxy-2-methylidenebutanoate
(3as,6as)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-3a,6a-diol
5-[4-(4-hydroxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxol-4-ol
17-hydroxy-5,13-dimethoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
3-[2,4-dihydroxy-7-oxo-8-(2,3,4,5-tetrahydroxypentyl)pteridin-6-yl]propanoic acid
9-methoxy-7-(2,3,6-trimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(1s,3r,4s,5r)-3,4,5-trihydroxy-1-(3,4,5-trimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
(3r,4r)-3-[2h-1,3-benzodioxol-5-yl(hydroxy)methyl]-4-[(6-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
3'-o-β-glucopyranosyl plumbagicacid
{"Ingredient_id": "HBIN009269","Ingredient_name": "3'-o-\u03b2-glucopyranosyl plumbagicacid","Alias": "NA","Ingredient_formula": "C17H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxyhinokinin
{"Ingredient_id": "HBIN013284","Ingredient_name": "7-hydroxyhinokinin","Alias": "NA","Ingredient_formula": "C20H18O8","Ingredient_Smile": "C1C(C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)O)CC4=CC5=C(C=C4O)OCO5","Ingredient_weight": "386.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100935372","DrugBank_id": "NA"}
