Exact Mass: 431.13688060000004
Exact Mass Matches: 431.13688060000004
Found 333 metabolites which its exact mass value is equals to given mass value 431.13688060000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SB 228357
SB228357 is a selective, potent and orall active 5-HT2C/2B receptor antagonist with pKi values of 6.9, 8.0 and 9.0 for 5-HT2A, 5-HT2B and 5-HT2C, respectively. SB228357 has antidepressant/anxiolytic effects[1][2].
Ribosylzeatin phosphate
Ribosylzeatin phosphate is found in cereals and cereal products. Ribosylzeatin phosphate is isolated from Zea mays (sweet corn Isolated from Zea mays (sweet corn). (E)-Ribosylzeatin 5-phosphate is found in cereals and cereal products and fats and oils.
Ochratoxin C
C22H22ClNO6 (431.11355820000006)
Ochratoxin C is a metabolite of Aspergillus ochraceu
Oxynarcotine
Oxynarcotine is an alkaloid from Papaver somniferum (opium poppy
Albaconazole
C20H16ClF2N5O2 (431.09605300000004)
Imidazo(5,1-F)(1,2,4)triazine, 4-(3-fluoro-1-azetidinyl)-7-methyl-5-(1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-
8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
2,3-dihydroxypropyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
C22H22ClNO6 (431.11355820000006)
C22H25NO8_8-Benzoyl-2-[(3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8_1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 8-benzoyl-2-[(1S,2S,3Z)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-, (5S,8S,9R)
C22H25NO8_8-Benzoyl-2-[(3E)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
(5S,8S)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione_major
Ala Met Asn Pro
C17H29N5O6S (431.18384540000005)
Ala Met Pro Asn
C17H29N5O6S (431.18384540000005)
Ala Asn Met Pro
C17H29N5O6S (431.18384540000005)
Ala Asn Asn Asn
Ala Asn Pro Met
C17H29N5O6S (431.18384540000005)
Ala Pro Met Asn
C17H29N5O6S (431.18384540000005)
Ala Pro Asn Met
C17H29N5O6S (431.18384540000005)
Cys Asn Pro Val
C17H29N5O6S (431.18384540000005)
Cys Asn Val Pro
C17H29N5O6S (431.18384540000005)
Cys Pro Asn Val
C17H29N5O6S (431.18384540000005)
Cys Pro Val Asn
C17H29N5O6S (431.18384540000005)
Cys Val Asn Pro
C17H29N5O6S (431.18384540000005)
Cys Val Pro Asn
C17H29N5O6S (431.18384540000005)
Asp Asn Pro Ser
Asp Asn Ser Pro
Asp Pro Asn Ser
Asp Pro Ser Asn
Asp Ser Asn Pro
Asp Ser Pro Asn
Gly Met Pro Gln
C17H29N5O6S (431.18384540000005)
Gly Met Gln Pro
C17H29N5O6S (431.18384540000005)
Gly Asn Asn Gln
Gly Asn Gln Asn
Gly Pro Met Gln
C17H29N5O6S (431.18384540000005)
Gly Pro Gln Met
C17H29N5O6S (431.18384540000005)
Gly Gln Met Pro
C17H29N5O6S (431.18384540000005)
Gly Gln Asn Asn
Gly Gln Pro Met
C17H29N5O6S (431.18384540000005)
Met Ala Asn Pro
C17H29N5O6S (431.18384540000005)
Met Ala Pro Asn
C17H29N5O6S (431.18384540000005)
Met Gly Pro Gln
C17H29N5O6S (431.18384540000005)
Met Gly Gln Pro
C17H29N5O6S (431.18384540000005)
Met Asn Ala Pro
C17H29N5O6S (431.18384540000005)
Met Asn Pro Ala
C17H29N5O6S (431.18384540000005)
Met Pro Ala Asn
C17H29N5O6S (431.18384540000005)
Met Pro Gly Gln
C17H29N5O6S (431.18384540000005)
Met Pro Asn Ala
C17H29N5O6S (431.18384540000005)
Met Pro Gln Gly
C17H29N5O6S (431.18384540000005)
Met Gln Gly Pro
C17H29N5O6S (431.18384540000005)
Met Gln Pro Gly
C17H29N5O6S (431.18384540000005)
Asn Ala Met Pro
C17H29N5O6S (431.18384540000005)
Asn Ala Asn Asn
Asn Ala Pro Met
C17H29N5O6S (431.18384540000005)
Asn Cys Pro Val
C17H29N5O6S (431.18384540000005)
Asn Cys Val Pro
C17H29N5O6S (431.18384540000005)
Asn Asp Pro Ser
Asn Asp Ser Pro
Asn Gly Asn Gln
Asn Gly Gln Asn
Asn Met Ala Pro
C17H29N5O6S (431.18384540000005)
Asn Met Pro Ala
C17H29N5O6S (431.18384540000005)
Asn Asn Ala Asn
Asn Asn Gly Gln
Asn Asn Asn Ala
Asn Asn Gln Gly
Asn Pro Ala Met
C17H29N5O6S (431.18384540000005)
Asn Pro Cys Val
C17H29N5O6S (431.18384540000005)
Asn Pro Asp Ser
Asn Pro Met Ala
C17H29N5O6S (431.18384540000005)
Asn Pro Ser Asp
Asn Pro Val Cys
C17H29N5O6S (431.18384540000005)
Asn Gln Gly Asn
Asn Gln Asn Gly
Asn Ser Asp Pro
Asn Ser Pro Asp
Asn Val Cys Pro
C17H29N5O6S (431.18384540000005)
Asn Val Pro Cys
C17H29N5O6S (431.18384540000005)
Pro Ala Met Asn
C17H29N5O6S (431.18384540000005)
Pro Ala Asn Met
C17H29N5O6S (431.18384540000005)
Pro Cys Asn Val
C17H29N5O6S (431.18384540000005)
Pro Cys Val Asn
C17H29N5O6S (431.18384540000005)
Pro Asp Asn Ser
Pro Asp Ser Asn
Pro Gly Met Gln
C17H29N5O6S (431.18384540000005)
Pro Gly Gln Met
C17H29N5O6S (431.18384540000005)
Pro Met Ala Asn
C17H29N5O6S (431.18384540000005)
Pro Met Gly Gln
C17H29N5O6S (431.18384540000005)
Pro Met Asn Ala
C17H29N5O6S (431.18384540000005)
Pro Met Gln Gly
C17H29N5O6S (431.18384540000005)
Pro Asn Ala Met
C17H29N5O6S (431.18384540000005)
Pro Asn Cys Val
C17H29N5O6S (431.18384540000005)
Pro Asn Asp Ser
Pro Asn Met Ala
C17H29N5O6S (431.18384540000005)
Pro Asn Ser Asp
Pro Asn Val Cys
C17H29N5O6S (431.18384540000005)
Pro Gln Gly Met
C17H29N5O6S (431.18384540000005)
Pro Gln Met Gly
C17H29N5O6S (431.18384540000005)
Pro Ser Asp Asn
Pro Ser Asn Asp
Pro Val Cys Asn
C17H29N5O6S (431.18384540000005)
Pro Val Asn Cys
C17H29N5O6S (431.18384540000005)
Gln Gly Met Pro
C17H29N5O6S (431.18384540000005)
Gln Gly Asn Asn
Gln Gly Pro Met
C17H29N5O6S (431.18384540000005)
Gln Met Gly Pro
C17H29N5O6S (431.18384540000005)
Gln Met Pro Gly
C17H29N5O6S (431.18384540000005)
Gln Asn Gly Asn
Gln Asn Asn Gly
Gln Pro Gly Met
C17H29N5O6S (431.18384540000005)
Gln Pro Met Gly
C17H29N5O6S (431.18384540000005)
Ser Asp Asn Pro
Ser Asp Pro Asn
Ser Asn Asp Pro
Ser Asn Pro Asp
Ser Pro Asp Asn
Ser Pro Asn Asp
Val Cys Asn Pro
C17H29N5O6S (431.18384540000005)
Val Cys Pro Asn
C17H29N5O6S (431.18384540000005)
Val Asn Cys Pro
C17H29N5O6S (431.18384540000005)
Val Asn Pro Cys
C17H29N5O6S (431.18384540000005)
Val Pro Cys Asn
C17H29N5O6S (431.18384540000005)
Val Pro Asn Cys
C17H29N5O6S (431.18384540000005)
Ochratoxin C
C22H22ClNO6 (431.11355820000006)
A phenylalanine derivative that is the ethyl ester of ochratoxin A. D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Nornarceine
Ribosylzeatin phosphate
(Benzotriazol-1-Yloxy)Dipyrrolidinocarbenium Hexafluorophosphate
(4Z)-4-[(3-chlorophenyl)hydrazinylidene]-N-(2-methoxyphenyl)-3-oxonaphthalene-2-carboxamide
C24H18ClN3O3 (431.10366280000005)
Tiodazosin
C18H21N7O4S (431.13756660000007)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
C26H22FNO4 (431.15327840000003)
L-Octahydroindole-2-carboxylic acid benzyl ester 4-methylbenzenesulfonate
C23H29NO5S (431.17663440000007)
Ethaverine hydrochloride
C24H30ClNO4 (431.18632500000007)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor C93038 - Cation Channel Blocker
Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-8-methyl-6-nitro-1,3-diphenyl-
C20H13N7O5 (431.09781280000004)
3-IODO-N-ISOBUTYL-1-(((TRIMETHYLSILYL)METHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-4-AMINE
ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE
C18H33NO3Sn (431.14822979999997)
N4-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)quinazoline-4,6-diamine
3-Chloro-6-(cyclohexylamino)fluoran
C26H22ClNO3 (431.1288132000001)
1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)- (9CI)
clidinium bromide
C22H26BrNO3 (431.10959460000004)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent Clidinium bromide is a quaternary amine antimuscarinic agent. Clidinium bromide may help symptoms of cramping and abdominal/stomach pain by decreasing stomach acid, and slowing the intestines in vivo[1].
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine phenylmethyl ester
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
C19H17BF7N3 (431.14036760000005)
Chitinase
C20H21N5O2S.HCl (431.11826620000005)
Phosphoglucomutase, also known as rnase, pancreatic or pancreatic rnase, is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Phosphoglucomutase is soluble (in water) and a weakly acidic compound (based on its pKa). Phosphoglucomutase can be found in soy bean, which makes phosphoglucomutase a potential biomarker for the consumption of this food product. Phosphoglucomutase (EC 5.4.2.2) is an enzyme that transfers a phosphate group on an α-D-glucose monomer from the 1 to the 6 position in the forward direction or the 6 to the 1 position in the reverse direction .
Ralinepag
C23H26ClNO5 (431.1499416000001)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
5-O-(2-AZIDO-2-DEOXY-BETA-D-MANNOPYRANOSYL)-URIDINE
Albaconazole
C20H16ClF2N5O2 (431.09605300000004)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
(1S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
2-Methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(4R,2S)-5-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
C21H22ClN3O3S (431.10703320000005)
Guanosine, 2-deoxy-6-O-ethyl-2-fluoro-2-methyl-, cyclic 3,5-(1-methylethyl (R)-phosphate), (2R)-
Xanomeline tartrate
C18H29N3O7S (431.17261240000005)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs Xanomeline (LY 246708) is the potent agonist of muscarinic M1/M4 receptor with antipsychotic-like activity. Xanomeline (LY 246708) increases neuronal excitability. Xanomeline (LY 246708) can be used for the research of schizophrenia[1][2][3].
N-[4-[2-[3-(dimethylsulfamoyl)anilino]-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
C19H21N5O3S2 (431.10857560000005)
5-{[1-(2,3-Dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
2-Mercapto-N-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[A]heptalen-7-YL]acetamide
C22H25NO6S (431.14025100000003)
Oxynarcotine
Vitexin-7-olate
C21H19O10- (431.09781740000005)
Conjugate base of vitexin arising from deprotonation of the 7-hydroxy group; major species at pH 7.3.
7-alpha-hydroxy-O-carbamoyl-deacetylcephalosporin C
3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
C21H19O10- (431.09781740000005)
(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
2-[2-[2-[[(2S)-2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propanoyl]amino]ethoxy]-2-oxoethyl]-2-hydroxybutanedioate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trihydroxyphenyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
C16H21N3O9S (431.09984560000004)
pseurotin A
A spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively.
N2,N5-Bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
C23H21N5O4 (431.15934660000005)
8-benzoyl-2-[(Z)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
3-Phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole
2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole
C22H26ClN3O2S (431.1434166000001)
6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
C23H21N5O2S (431.14158860000003)
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol
C24H21N3O5 (431.14811360000004)
1-[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]ethanone
C24H22ClN5O (431.15127920000003)
[4-[2-(3-Chlorophenyl)-5-ethynyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
apigenin 7-O-beta-D-glucoside(1-)
C21H19O10- (431.09781740000005)
A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-(4-Methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
C21H25N3O5S (431.15148400000004)
Ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
C19H21N5O3S2 (431.10857560000005)
3,4,5-trimethoxy-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
C21H25N3O5S (431.15148400000004)
4-Tert-butylbenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester
4-((E)-3-Oxo-3-pyridin-3-yl-propenylamino)-N-quinoxalin-2-yl-benzenesulfonamide
2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide
C20H25N5O4S (431.16271700000004)
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
C21H22ClN3O3S (431.10703320000005)
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-olate
C21H19O10- (431.09781740000005)
18-(2-Methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C21H25N3O5S (431.15148400000004)
18-(3-Methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H25N3O5S (431.15148400000004)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H25N3O5S (431.15148400000004)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H25N3O5S (431.15148400000004)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(6R,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6R,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6S,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-12-(3-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C21H25N3O5S (431.15148400000004)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H25N3O5S (431.15148400000004)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(6R,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(6S,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C25H22FN3O3 (431.16451140000004)
(1R,2S)-2-benzoyl-8-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
afzelin(1-)
C21H19O10 (431.09781740000005)
A flavonoid oxonion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of afzelin (kaempferol 3-O-alpha-L-rhamnoside). The major species at pH 7.3.
Vibrioferrin(3-)
A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of vibrioferrin. The major species at pH 7.3.
9-ribosyl-trans-zeatin 5-monophosphate
A purine ribonucleoside 5-monophosphate that is AMP substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group.
CM037
C21H25N3O3S2 (431.13372599999997)
CM037 is a selective inhibitor of ALDH1A1 (aldehyde dehydrogenase 1A1) with an IC50 of 4.6 μM[1].
EX229
C24H18ClN3O3 (431.10366280000005)
EX229, a Benzimidazole derivative, is a potent and allosteric activator of AMP-activated protein kinase (AMPK), with Kds of 0.06 μM, 0.06 μM and 0.51 μM for α1β1γ1, α2β1γ1 and α1β2γ1 in biolayer interferometry, respectively.
GLX351322
C21H25N3O5S (431.15148400000004)
GLX351322 is an inhibitor of NADPH oxidase 4 (Nox4), and inhibits hydrogen peroxide production from NOX4-overexpressing cells with an IC50 of 5 μM.
NVP 231
NVP 231 is a potent, specific, and reversible ceramide kinase (CerK) inhibitor(IC50=12 nM) that competitively inhibits binding of ceramide to CerK[1]. NVP 231 induces cell apoptosis by increasing DNA fragmentation and caspase-3 and caspase-9 cleavage[2].
TP0463518
TP0463518 is a potent hypoxia-inducible factor prolyl hydroxylases (PHDs) inhibitor with a Ki value of 5.3 nM for human PHD2. TP0463518 also inhibits human PHD1/PHD3 with IC50s of 18 and 63 nM as well as monkey PHD2 with an IC50 value of 22 nM[1].
Anthocyanidin 3-O-beta-D-glucoside
C21H19O10 (431.09781740000005)
9-hydroxy-9-({3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl}methyl)-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C23H21N5O4 (431.15934660000005)
(4s,5s,5ar,6s,9as)-4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
(5r,8s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-[(3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2z,6e)-7-[(5r,5ar,6s,8as)-3-{[hydroxy(methoxy)methylidene]amino}-6-methyl-4-oxo-5h,5ah,6h,7h,8h,8ah,9h-cyclopenta[g]thiochromen-5-yl]-3-methylhepta-2,6-dienoic acid
C23H29NO5S (431.17663440000007)
8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C22H25NO6S (431.14025100000003)
10-ethenyl-2-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
5,12-dihydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-6,9-diene-8,11-dione
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(6s,7s,9s,10r,11s)-10-ethenyl-2-oxo-11-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-6-ium-6-olate
2-hydroxy-n-[(9r,10r)-9-hydroxy-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]ethanimidic acid
(19s,21s,23r)-5,12-dihydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-6,9-diene-8,11-dione
(5r,8r,9s)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2s,9r,9as)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C23H21N5O4 (431.15934660000005)
(5r,8s,9r)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2s,3s)-3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
4-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
[(e)-(6-oxo-1-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene)amino]oxysulfonic acid
C14H25NO10S2 (431.09198299999997)
(2s,9s,9ar)-9-hydroxy-9-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
C23H21N5O4 (431.15934660000005)
(2s,10s,12r)-13-hydroxy-10-(2-methylbut-3-en-2-yl)-21-oxo-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-3-yl acetate
1-acetyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-pyrido[3,4-b]indole-3-carboxamide
(3r)-5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
C22H22ClNO6 (431.11355820000006)
5-chloro-n-[(2s)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-carboximidic acid
C22H22ClNO6 (431.11355820000006)
13-hydroxy-10-(2-methylbut-3-en-2-yl)-21-oxo-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-3-yl acetate
(5r,8r,9s)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(2s,10r,12s)-3-acetyl-12,13-dihydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one
(5r,5as,6s,9as,9bs)-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
[(4s,5s,5ar,6s,9as)-4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl]methyl 4-nitrobenzoate
(5r,8s,9r)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9s)-8-benzoyl-2-[(1r,2s,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)oxolan-2-yl]methoxyphosphonic acid
7-(3-{[hydroxy(methoxy)methylidene]amino}-6-methyl-4-oxo-5h,5ah,6h,7h,8h,8ah,9h-cyclopenta[g]thiochromen-5-yl)-3-methylhepta-2,6-dienoic acid
C23H29NO5S (431.17663440000007)
9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
(8s,9r)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(5r,8s,9r)-8-benzoyl-2-[(1s,2s)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
3-acetyl-12,13-dihydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one
{4,5-dihydroxy-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-6-yl}methyl 4-nitrobenzoate
5-hydroxy-6-[5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C22H25NO6S (431.14025100000003)