Exact Mass: 320.0676
Exact Mass Matches: 320.0676
Found 500 metabolites which its exact mass value is equals to given mass value 320.0676,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
trans-3,3',4',5,5',7-Hexahydroxyflavanone
(+)-dihydromyricetin is an optically active form of dihydromyricetin having (2R,3R)-configuration. It has a role as a metabolite, an antioxidant and an antineoplastic agent. It is a secondary alpha-hydroxy ketone and a dihydromyricetin. It is an enantiomer of a (-)-dihydromyricetin. Dihydromyricetin is under investigation in clinical trial NCT03606694 (Effect of Dihydromirycetin on Glycemic Control, Insulin Sensitivity and Insulin Secretion in Type 2 Diabetes Mellitus). Dihydromyricetin is a naturally occurring flavonoid found in the many plant species and is thought to be the active ingredient of several traditional Japanese, Chinese, and Korean medicines that are used to treat fever, parasite infections, liver diseases, and hangovers. Dihydromyricetin preparations have not been linked to instances of serum enzyme elevations or clinically apparent liver injury with jaundice. Dihydromyricetin is a natural product found in Vitis rotundifolia, Catha edulis, and other organisms with data available. (±)-trans-3,3,4,5,5,7-Hexahydroxyflavanone is found in tea. (±)-trans-3,3,4,5,5,7-Hexahydroxyflavanone is a constituent of Camellia sinensis (Chinese green tea). Constituent of Camellia sinensis (Chinese green tea). (±)-Dihydromyricetin is found in tea. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM.
Coptisine
Coptisine is an alkaloid. It has a role as a metabolite. Coptisine is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A natural product found in Coptis japonica.
2,3-Dihydrogossypetin
A member of the class of dihydroflavonols that is the 2,3-dihydro derivative of gossypetin.
Articaine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
7-Hydroxy-6-methoxy-alpha-pyrufuran
7-Hydroxy-6-methoxy-alpha-pyrufuran is found in fruits. 7-Hydroxy-6-methoxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 7-Hydroxy-6-methoxy-alpha-pyrufuran is found in fruits.
Erosnin
Erosnin is found in jicama. Erosnin is a constituent of the yam bean (Pachyrrhizus erosus) Constituent of the yam bean (Pachyrrhizus erosus). Erosnin is found in jicama and pulses.
3-p-Coumaroyl-1,5-quinolactone
3-p-Coumaroyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
4-p-Coumaroyl-1,5-quinolactone
4-p-Coumaroyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
N(4)-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
7-(Benzyloxy)-4-(trifluoromethyl)-2H-chromen-2-one
(S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
N-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(2S)-4,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-one
2-[1-(2-Fluorophenyl)ethylamino]-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4-one
Ethyl brevifolincarboxylate
Ethyl brevifolincarboxylate, also known as ebfc, belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Ethyl brevifolincarboxylate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl brevifolincarboxylate can be found in pomegranate, which makes ethyl brevifolincarboxylate a potential biomarker for the consumption of this food product.
4'-Methylepigallocatechin
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-coumaroylshikimate
4-coumaroylshikimate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-coumaroylshikimate can be found in a number of food items such as arctic blackberry, spinach, prickly pear, and java plum, which makes 4-coumaroylshikimate a potential biomarker for the consumption of these food products.
4-benzoyloxymethyl-3,8-dioxatricyclo[5.1.0.02,4]octane-5,6-diol 5-acetate
cis-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
Gallocatechin 4-methyl ether
Ourateacatechin
ampelopsin
Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM.
N4-acetylsulfamethazine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 247 EAWAG_UCHEM_ID 247; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2012
Methyl 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylate
1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea
barceloneic acid A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(-)-2,3-cis-3,4-cis-4-methoxy-3,3,4,7,8-pentahydroxyflavan
3,5,7,3,5-Pentahydroxy-4-methoxy-(-)-epicatechin (richtig aber: 5-Hydroxy-(-)-epicatechin-4-methylaether)|(-)-4-methylepigallocatechin|4-O-methyl-(-)-epigallocatechin|4-O-methyl-epigallocatechin|4-O-methylepigallocatechin|Ourateacatechin
2,5,7-Trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-on|2,5,7-trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-one
7-methoxy-6-[1,4-dihydro-3-methyl-3-methoxy-2-hydroxy-4-oxo-1-furanyl]coumarin|micromeloside B
(3R*,4R*)-3-(3,4-dihydroxybenzyl)-3,4,7,8-tetrahydroxychroman|epihaematoxylol
(1S)-1,5,8,10-tetrahydroxy-7-methoxy-3-methyl-6,9-dihydro-1H-naphtho[2,3-c]pyran-6,9-dione|coronatoquinone
9H-Xanthen-9-one, 5-chloro-8-hydroxy-1,4-dimethoxy-3-methyl-
2-chloro-1-hydroxy-3,6-dimethoxy-8-methyl-xanthen-9-one|2-Chloro-3, 6-di-O-methylnorlichexanthone
7-Hexanoyl-2,5,7,8-tetrahydroxy-1,4-naphthoquinone
1,4,8-Trihydroxy-3-methyl-9-oxo-3,4-dihydro-2H-xanthene-4a(9H)-carboxylic acid methyl ester
16-bromo-(7E,11E,15E)-hexadeca-7,11,15-trien-5,13-diynoic acid
4-dechloro-8-O-methylthiomelin|5, 8-Di-Me ether-2-Chloro-1, 5, 8-trihydroxy-6-methylxanthone
5,6-anhydrolandomycinone
A natural product found in Streptomyces cyanogenus.
3-(4-hydroxyphenyl)-2,3-dihydroxy-1-(4,6-dihydroxy-2-methoxyphenyl)-1-propanone|7-3028/6
(1R,3S)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4,6,7,8,9-hexahydro-1H-naphtho[2,3-c]pyran-3-yl acetic acid
2-(3,4-dihydroxy-phenyl)-7-methoxy-chroman-3,4,5-triol
(Z)-4-hydroxy-3-(7-hydroxy-4-chromoyl)-hex-2-enedioic acid
7-methoxy-8-(1S*,3-dihydroxy-2S*-acetyl-3-butenyl)coumarin|omphalocarpinol
8-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan
4-Hydroxy-3-methoxy-5-phenyl-1,8-naphthalic anhydride
1-N-beta-D-ribofuranosyldamirone C|N-1-beta-D-ribofuranosyldamirone C
2-(2-Methyl-2-propenoyl),2-Ac,Me ester-2-Hydroxy-5-(hydroxyacetyl)benzoic acid|caleteucrifolone
Dihydromyricetin
A hexahydroxyflavanone that is the 2,3-dihydro derivative of myricetin. Dihydromyricetin, also known as ampelopsin or (2r,3r)-3,5,7,3,4,5-hexahydroxyflavanone, is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Dihydromyricetin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydromyricetin can be found in a number of food items such as highbush blueberry, summer grape, sacred lotus, and sweet rowanberry, which makes dihydromyricetin a potential biomarker for the consumption of these food products. Hovenia dulcis has been used in traditional Japanese, Chinese, and Korean medicines to treat fever, parasitic infection, as a laxative, and a treatment of liver diseases, and as a hangover treatment. Methods have been developed to extract ampelopsin from it at large scales, and laboratory research has been conducted with the compound to see if it might be useful as a drug in any of the conditions for which the parent plant has been traditionally used . Isolated from flowers of Eugenia jambolana (jambolan). trans-3,3,4,5,5,7-Hexahydroxyflavanone is found in fruits. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM.
(E)-2,5-dihydroxy-7-methoxy-3-methoxymethylene-2-(2-oxopropyl)-2,3-dihydro[1,4]naphthoquinone|ascomycone C
2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxyphenoxy]-4-methylbenzoic acid
Fenirofibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
3-Coumaroylquinic acid lactone
4-Coumaroylquinic acid lactone
7-Hydroxy-6-methoxy-a-pyrufuran
16-bromo-7E,11E,15E-hexadecatrien-5,13-diynoic acid
16-bromo-7E,11E,15Z-hexadecatrien-5,13-diynoic acid
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoic acid
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
3-(3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile HCl salt
N-[6-[(2-chloro-4-hydroxyphenyl)imino]-4-methoxy-3-oxo-1,4-cyclohexadien-1-yl]acetamide
Etomoxir (Na salt)
Etomoxir((R)-(+)-Etomoxir) sodium salt is an irreversible inhibitor of carnitine palmitoyltransferase 1a (CPT-1a), inhibits fatty acid oxidation (FAO) through CPT-1a and inhibits palmitate β-oxidation in human, rat and guinea pig[1].
METHYL 3-(4-(ETHOXYCARBONYL)-3-FLUOROPHENYL)-2-FLUOROBENZOATE
Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)
(1S, 2S)-1,2-Bis(4-fluorophenyl)ethylenediamine dihydrochloride
bis(pentane-2,4-dionato-O,O)(propane-1,3-diolato-O,O)titanium
(Z)-4-butoxy-4-oxobut-2-enoic acid,chloroethene,ethenyl acetate
((7-Oxo-7H-benz(de)anthracen-3-yl)thio)acetic acid
Benzyloxycarbonyl-L-alanine N-hydroxy succinimide ester
4-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-3-yl-acetic acid
(4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3,5-DICHLOROPHENYL)BORONIC ACID
4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenamine
Ethyl [(4-chloro-3-cyano-7-methoxy-6-quinolinyl)oxy]acetate
Ethyl [(4-chloro-3-cyano-6-methoxy-7-quinolinyl)oxy]acetate
3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
3-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-2-yl-acetic acid
Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, hydrochloride (1:1)
1,4-Benzodioxin-2-methanol, 2,3-dihydro-, 4-methylbenzenesulfonate
methyl 2,3,4-tri-o-acetyl-1-thio-beta-l-fucopyranoside
5-Chloro-2-methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
(4R,5R)-2-Chloro-1,3-dimethyl-4,5-diphenyl-1-imidazolinium Chloride
ETHYL 2-(2-(((BENZYLOXY)CARBONYL)AMINO)THIAZOL-4-YL)ACETATE
1-Butanesulfonamide,N-[4-(4-cyano-2,5-dihydro-5-oxo-3-furanyl)phenyl]-
(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)propanoate
Benzyloxycarbonyl-D-alanine N-hydroxysuccinimide ester
2-(4-AMINO-BENZENESULFONYLAMINO)-3-PHENYL-PROPIONIC ACID
4-Hydroxy-2-phenyl-6-quinolinesulfonic acid fluoride
N-(2-Formyl-4-nitro-phenyl)-4-methyl-benzenesulfonamide
1-[4-(6-METHYL-BENZOTHIAZOL-2-YL)-PHENYL]-PYRROLE-2,5-DIONE
Methyl (E)-2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylate
2-[4-Aminosulfonyl-phenyl]-ethyl-5-methylpyrazinecarboxamide
1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-2-METHYL-1-[(2-METHYLPHENYL)SULFONYL]-
chloropalladium(1+),(1Z,5Z)-cycloocta-1,5-diene,2-methanidyl-2-methylpropane
methyl 12-hydroxy-6-oxonaphtho[1,2-c]isochromene-11-carboxylate
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)-
N-(3-ethynylphenyl)-7-methoxy-6-nitroquinazolin-4-amine
2-(CHLOROMETHYL)-3-(4-CHLOROPHENYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
5-(2-CHLORO-1,1-DIMETHYLETHYL)-3-[4-(TRIFLUOROMETHOXY)PHENYL]-1,2,4-OXADIAZOLE
[4-(4-chloro-phenyl)-piperazin-1-yl]-furan-2-yl-acetic acid
4-amino-N-[3-[(2-hydroxyethyl)sulphonyl]phenyl]benzamide
METHYL 5-(2-METHOXY-2-OXOETHYL)-1-(4-NITROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL
Encenicline
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
(5s)-2-{[(1s)-1-(2-Fluorophenyl)ethyl]amino}-5-Methyl-5-(Trifluoromethyl)-1,3-Thiazol-4(5h)-One
Tert-Butyl {2-[(1,3-Thiazol-2-Ylamino)carbonyl]pyridin-3-Yl}carbamate
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
7-(Benzyloxy)-4-(trifluoromethyl)-2H-chromen-2-one
(-)-Microdiplodiasolol
A member of the class of xanthones that is 4a,9a-dihydro-1H-xanthene-2,9-dione substituted by hydroxy groups at positions 1, 8 and 9a, a methoxy group at position 4 and methyl groups at positions 4a and 6 (the 1S,4aS,9aS stereoisomer). Isolated from Microdiplodia species, it exhibits antibacterial activity.
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
2-[(6-Butoxypyridin-3-yl)amino]-4-chlorobenzoic acid
N-[4-[(4-hydroxyphenyl)-methylsulfamoyl]phenyl]acetamide
[3-Methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
(7R,8R)-Alpha-Diversonolic Ester
A member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii.
2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamide
3-(2-chloro-5-oxo-10-phenothiazinyl)-N-methyl-1-propanamine
8-Chloro-10-[3-(methylamino)propyl]-10h-phenothiazin-3-ol
5-(4-Methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
10-(3-Aminopropyl)-8-chlorophenothiazine-2,3-dione
D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
5-[2-Furanyl(4-morpholinyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
N-(5-Phosphopyridoxyl)-D-alanine
An alanine derivative arising from reductive N-alkylation of D-alanine by pyridoxal-5-phosphate.
N-(5-Phosphopyridoxyl)-L-alanine
An alanine derivative arising from reductive N-alkylation of L-alanine by pyridoxal-5-phosphate.
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
2-(6-methyl-2-pyridyl)-N-pyrimidin-4-yl-thieno[3,2-d]pyrimidin-4-amine
2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-2,3-dihydrochromen-4-one
7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b]chromene-9-carboxylic acid
An organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3 and an oxo group at position 10. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases.
Octulose 8-phosphate
A ketooctose derivative that is D-glycero-D-altro-octulose carrying a single phosphate substituent at position 8.
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
[4-(6-Methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate
A butenolide that is (5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
[(3S,4R)-4-(octanoyl)-5-oxooxolan-3-yl]methyl phosphate
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6, 7,8-tetrahydroxypterin
[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] dihydrogen phosphate
[(2R,3R,4R,5R,6S,7R)-2,3,4,5,6,7-hexahydroxy-8-oxooctyl] dihydrogen phosphate
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methylphenoxy)oxolan-2-yl]methyl dihydrogen phosphate
(4-octanoyl-5-oxo-2H-furan-3-yl)methyl dihydrogen phosphate
3-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]-3-hydroxypentanedioic acid
[(2R,3R)-2,3-dihydroxy-3-[(3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]propyl] dihydrogen phosphate
(3r,4s,5r)-3,4-Dihydroxy-5-{[(2e)-3-(4-Hydroxyphenyl)prop-2-Enoyl]oxy}cyclohex-1-Ene-1-Carboxylic Acid
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
1-(3-Chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
2-chloro-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
2-[(3-Oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile
5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester
5-Nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester
2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile
2-(3-Methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
1-(1,2,3-Benzothiadiazol-5-yl)-3-(1-naphthalenyl)urea
N-(2-methoxyethyl)-1-methyl-2-oxo-6-benzo[cd]indolesulfonamide
4-(2-furanyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone
6-[5-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone
1-Naphthalen-2-yl-2-(9H-purin-6-ylsulfanyl)-ethanone
(2S,5R,6R)-6-[(4-hydroxybenzylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Ascomycotin A
An organic heterotricyclic compound that is 3,4-dihydro-2H,5H-pyrano[3,2-c]chromene substituted by methyl, oxo, hydroxy, methoxy and methoxycarbonyl groups at positions 2R, 4, 7, 8 and 10, respectively. It is isolated from the fungal strain Ascomycota sp. Ind19F07, which was isolated from the deep sea sediment of the Indian Ocean.
4-chloro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate
N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
1-[(2,4-dichlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea
3-(3,4-Dihydroxyphenyl)-1-(2,3,4,5,6-pentahydroxyphenyl)prop-2-en-1-one
[(3S,4R,5R,6R,7R)-3,4,5,6,7,8-hexahydroxy-2-oxooctyl] dihydrogen phosphate
Ampelopsin
(+)-dihydromyricetin is an optically active form of dihydromyricetin having (2R,3R)-configuration. It has a role as a metabolite, an antioxidant and an antineoplastic agent. It is a secondary alpha-hydroxy ketone and a dihydromyricetin. It is an enantiomer of a (-)-dihydromyricetin. Dihydromyricetin is under investigation in clinical trial NCT03606694 (Effect of Dihydromirycetin on Glycemic Control, Insulin Sensitivity and Insulin Secretion in Type 2 Diabetes Mellitus). Dihydromyricetin is a naturally occurring flavonoid found in the many plant species and is thought to be the active ingredient of several traditional Japanese, Chinese, and Korean medicines that are used to treat fever, parasite infections, liver diseases, and hangovers. Dihydromyricetin preparations have not been linked to instances of serum enzyme elevations or clinically apparent liver injury with jaundice. Dihydromyricetin is a natural product found in Vitis rotundifolia, Catha edulis, and other organisms with data available. An optically active form of dihydromyricetin having (2R,3R)-configuration. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM. Dihydromyricetin is a potent inhibitor with an IC50 of 48 μM on dihydropyrimidinase. Dihydromyricetin can activate autophagy through inhibiting mTOR signaling. Dihydromyricetin suppresses the formation of mTOR complexes (mTORC1/2). Dihydromyricetin is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 22 μM.
dTMP(2-)
A 2-deoxyribonucleoside 5-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of dTMP; major species at pH 7.3.
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)
A [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3.
6beta-[(p-hydroxybenzylidene)amino]penicillanic acid
Penicillanic acid carrying a (p-hydroxybenzylidene)amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.
4-O-Methylepigallocatechin
A natural product found in Parapiptadenia rigida.
(2E,4E)-2,4-Dihydroxy-4-[6-(4-hydroxyphenyl)-2,4-dioxodihydro-2H-pyran-3(4H)-ylidene]but-2-enoate
methyl 1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2h-xanthene-1-carboxylate
methyl (3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
methyl (1s,2s)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
2-chloro-7-hydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one
2-(3,4-dihydroxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
methyl 4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
6-(3-hydroxy-4-methoxy-4-methyl-5-oxooxolan-2-yl)-7-methoxychromen-2-one
5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
(4r,4ar,9ar)-4,8,9a-trihydroxy-3-methoxy-4a,6-dimethyl-4h-xanthene-1,9-dione
6,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxochromen-3-yl]-2-methylbutane-1,3-dione
methyl (2s,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
4-hydroxy-3-(7-hydroxy-4-oxochromen-3-yl)hex-2-enedioic acid
4,5-dihydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
methyl (2r)-5-hydroxy-7-methyl-4-oxo-2-[(2s)-5-oxooxolan-2-yl]-3h-1-benzopyran-2-carboxylate
methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
(3s)-4,5,10-trihydroxy-7-methoxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,9-trione
4,5,10-trihydroxy-7-methoxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,9-trione
(1r,3s)-5,8,10-trihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
8-hydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
(1s,2s,3s)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
4-(2,3-dihydroxy-3-methylbutoxy)-9-hydroxyfuro[3,2-g]chromen-7-one
1,4-dihydroxy-6-methoxy-5,8-dioxo-3-(2-oxopropyl)naphthalene-2-carboxylic acid
methyl (3s,4r,4ar)-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
methyl (2e)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
3,5,6,8-tetrahydroxy-7-(3-oxohexyl)naphthalene-1,2-dione
2-o-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-phenylaceticacid
{"Ingredient_id": "HBIN006164","Ingredient_name": "2-o-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-phenylaceticacid","Alias": "NA","Ingredient_formula": "C15H12O8","Ingredient_Smile": "C1=CC(=C(C=C1C(=O)OC2=CC(=CC(=C2CC(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5767","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7,2',6'-pentahydroxy flavonol
{"Ingredient_id": "HBIN007566","Ingredient_name": "3,5,7,2',6'-pentahydroxy flavonol","Alias": "NA","Ingredient_formula": "C15H12O8","Ingredient_Smile": "C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O","Ingredient_weight": "320.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT19413","TCMID_id": "31765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129892149","DrugBank_id": "NA"}
