Exact Mass: 468.1936638
Exact Mass Matches: 468.1936638
Found 500 metabolites which its exact mass value is equals to given mass value 468.1936638
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paucin
Ent-8alpha-hydroxylabd-13-en-15-yl diphosphate
C20H38O8P2 (468.20418079999996)
(13E)-9-hydroxy-8alpha-labda-13-en-15-yl diphosphate
C20H38O8P2 (468.20418079999996)
2-[1-[2-[(4-Carbamimidoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid
2-Hydroxy-3,4-dimethoxy-isoflavane-7-O-??-D-glucoside
5,7-diamino-5,7,9-trideoxynon-2-ulosonic acid
C18H32N2O12 (468.19551520000005)
(4R)-alpha-terpineol 8-O-beta-D-(6-O-galloyl)glucopyranoside
1-O-angeloylglycerol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|everlastoside G
O-(6-Acetyl-beta-D-glucopyranoside)-(1beta,4alpha,5alpha,8beta)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide
Tyr Ala Thr Asp
C20H28N4O9 (468.18561980000004)
Thr Ser Phe Asp
C20H28N4O9 (468.18561980000004)
Ala Cys Ile Tyr
Ala Cys Leu Tyr
Ala Cys Tyr Ile
Ala Cys Tyr Leu
Ala Asp Thr Tyr
C20H28N4O9 (468.18561980000004)
Ala Asp Tyr Thr
C20H28N4O9 (468.18561980000004)
Ala Glu Ser Tyr
C20H28N4O9 (468.18561980000004)
Ala Glu Tyr Ser
C20H28N4O9 (468.18561980000004)
Ala Phe Met Thr
Ala Phe Thr Met
Ala His Asn Gln
Ala His Gln Asn
Ala Ile Cys Tyr
Ala Ile Tyr Cys
Ala Leu Cys Tyr
Ala Leu Tyr Cys
Ala Met Phe Thr
Ala Met Thr Phe
Ala Asn His Gln
Ala Asn Gln His
Ala Ser Glu Tyr
C20H28N4O9 (468.18561980000004)
Ala Ser Tyr Glu
C20H28N4O9 (468.18561980000004)
Ala Thr Asp Tyr
C20H28N4O9 (468.18561980000004)
Ala Thr Phe Met
Ala Thr Met Phe
Ala Thr Tyr Asp
C20H28N4O9 (468.18561980000004)
Ala Tyr Cys Ile
Ala Tyr Cys Leu
Ala Tyr Asp Thr
C20H28N4O9 (468.18561980000004)
Ala Tyr Glu Ser
C20H28N4O9 (468.18561980000004)
Ala Tyr Ile Cys
Ala Tyr Leu Cys
Ala Tyr Ser Glu
C20H28N4O9 (468.18561980000004)
Ala Tyr Thr Asp
C20H28N4O9 (468.18561980000004)
Cys Ala Ile Tyr
Cys Ala Leu Tyr
Cys Ala Tyr Ile
Cys Ala Tyr Leu
Cys Phe Ile Ser
Cys Phe Leu Ser
Cys Phe Ser Ile
Cys Phe Ser Leu
Cys Phe Thr Val
Cys Phe Val Thr
Cys Ile Ala Tyr
Cys Ile Phe Ser
Cys Ile Ser Phe
Cys Ile Tyr Ala
Cys Leu Ala Tyr
Cys Leu Phe Ser
Cys Leu Ser Phe
Cys Leu Tyr Ala
Cys Ser Phe Ile
Cys Ser Phe Leu
Cys Ser Ile Phe
Cys Ser Leu Phe
Cys Thr Phe Val
Cys Thr Val Phe
Cys Val Phe Thr
Cys Val Thr Phe
Cys Tyr Ala Ile
Cys Tyr Ala Leu
Cys Tyr Ile Ala
Cys Tyr Leu Ala
Asp Ala Thr Tyr
C20H28N4O9 (468.18561980000004)
Asp Ala Tyr Thr
C20H28N4O9 (468.18561980000004)
Asp Phe Ser Thr
C20H28N4O9 (468.18561980000004)
Asp Phe Thr Ser
C20H28N4O9 (468.18561980000004)
Asp His Pro Thr
Asp His Thr Pro
Asp Pro His Thr
Asp Pro Thr His
Asp Ser Phe Thr
C20H28N4O9 (468.18561980000004)
Asp Ser Thr Phe
C20H28N4O9 (468.18561980000004)
Asp Thr Ala Tyr
C20H28N4O9 (468.18561980000004)
Asp Thr Phe Ser
C20H28N4O9 (468.18561980000004)
Asp Thr His Pro
Asp Thr Pro His
Asp Thr Ser Phe
C20H28N4O9 (468.18561980000004)
Asp Thr Tyr Ala
C20H28N4O9 (468.18561980000004)
Asp Tyr Ala Thr
C20H28N4O9 (468.18561980000004)
Asp Tyr Thr Ala
C20H28N4O9 (468.18561980000004)
Glu Ala Ser Tyr
C20H28N4O9 (468.18561980000004)
Glu Ala Tyr Ser
C20H28N4O9 (468.18561980000004)
Glu Phe Ser Ser
C20H28N4O9 (468.18561980000004)
Glu Gly Thr Tyr
C20H28N4O9 (468.18561980000004)
Glu Gly Tyr Thr
C20H28N4O9 (468.18561980000004)
Glu His Pro Ser
Glu His Ser Pro
Glu Pro His Ser
Glu Pro Ser His
Glu Ser Ala Tyr
C20H28N4O9 (468.18561980000004)
Glu Ser Phe Ser
C20H28N4O9 (468.18561980000004)
Glu Ser His Pro
Glu Ser Pro His
Glu Ser Ser Phe
C20H28N4O9 (468.18561980000004)
Glu Ser Tyr Ala
C20H28N4O9 (468.18561980000004)
Glu Thr Gly Tyr
C20H28N4O9 (468.18561980000004)
Glu Thr Tyr Gly
C20H28N4O9 (468.18561980000004)
Glu Tyr Ala Ser
C20H28N4O9 (468.18561980000004)
Glu Tyr Gly Thr
C20H28N4O9 (468.18561980000004)
Glu Tyr Ser Ala
C20H28N4O9 (468.18561980000004)
Glu Tyr Thr Gly
C20H28N4O9 (468.18561980000004)
Phe Ala Met Thr
Phe Ala Thr Met
Phe Cys Ile Ser
Phe Cys Leu Ser
Phe Cys Ser Ile
Phe Cys Ser Leu
Phe Cys Thr Val
Phe Cys Val Thr
Phe Asp Ser Thr
C20H28N4O9 (468.18561980000004)
Phe Asp Thr Ser
C20H28N4O9 (468.18561980000004)
Phe Glu Ser Ser
C20H28N4O9 (468.18561980000004)
Phe Ile Cys Ser
Phe Ile Ser Cys
Phe Leu Cys Ser
Phe Leu Ser Cys
Phe Met Ala Thr
Phe Met Thr Ala
Phe Ser Cys Ile
Phe Ser Cys Leu
Phe Ser Asp Thr
C20H28N4O9 (468.18561980000004)
Phe Ser Glu Ser
C20H28N4O9 (468.18561980000004)
Phe Ser Ile Cys
Phe Ser Leu Cys
Phe Ser Ser Glu
C20H28N4O9 (468.18561980000004)
Phe Ser Thr Asp
C20H28N4O9 (468.18561980000004)
Phe Thr Ala Met
Phe Thr Cys Val
Phe Thr Asp Ser
C20H28N4O9 (468.18561980000004)
Phe Thr Met Ala
Phe Thr Ser Asp
C20H28N4O9 (468.18561980000004)
Phe Thr Val Cys
Phe Val Cys Thr
Phe Val Thr Cys
Gly Glu Thr Tyr
C20H28N4O9 (468.18561980000004)
Gly Glu Tyr Thr
C20H28N4O9 (468.18561980000004)
Gly Met Val Tyr
Gly Met Tyr Val
Gly Thr Glu Tyr
C20H28N4O9 (468.18561980000004)
Gly Thr Tyr Glu
C20H28N4O9 (468.18561980000004)
Gly Val Met Tyr
Gly Val Tyr Met
Gly Tyr Glu Thr
C20H28N4O9 (468.18561980000004)
Gly Tyr Met Val
Gly Tyr Thr Glu
C20H28N4O9 (468.18561980000004)
Gly Tyr Val Met
His Asp Pro Thr
His Asp Thr Pro
His Glu Pro Ser
His Glu Ser Pro
His Pro Asp Thr
His Pro Glu Ser
His Pro Ser Glu
His Pro Thr Asp
His Ser Glu Pro
His Ser Pro Glu
His Thr Asp Pro
His Thr Pro Asp
Ile Ala Cys Tyr
Ile Ala Tyr Cys
Ile Cys Ala Tyr
Ile Cys Phe Ser
Ile Cys Ser Phe
Ile Cys Tyr Ala
Ile Phe Cys Ser
Ile Phe Ser Cys
Ile Ser Cys Phe
Ile Ser Phe Cys
Ile Tyr Ala Cys
Ile Tyr Cys Ala
Leu Ala Cys Tyr
Leu Ala Tyr Cys
Leu Cys Ala Tyr
Leu Cys Phe Ser
Leu Cys Ser Phe
Leu Cys Tyr Ala
Leu Phe Cys Ser
Leu Phe Ser Cys
Leu Ser Cys Phe
Leu Ser Phe Cys
Leu Tyr Ala Cys
Leu Tyr Cys Ala
Met Ala Phe Thr
Met Ala Thr Phe
Met Phe Ala Thr
Met Phe Thr Ala
Met Gly Val Tyr
Met Gly Tyr Val
Met Thr Ala Phe
Met Thr Phe Ala
Met Val Gly Tyr
Met Val Tyr Gly
Met Tyr Gly Val
Met Tyr Val Gly
Asn Gln Ala His
Asn Gln His Ala
Pro Asp His Thr
Pro Asp Thr His
Pro Glu His Ser
Pro Glu Ser His
Pro His Asp Thr
Pro His Glu Ser
Pro His Ser Glu
Pro His Thr Asp
Pro Ser Glu His
Pro Ser His Glu
Pro Thr Asp His
Pro Thr His Asp
Gln Ala His Asn
Gln Ala Asn His
Gln Gly His Gln
Gln Gly Gln His
Gln His Ala Asn
Gln His Gly Gln
Gln His Asn Ala
Gln His Gln Gly
Gln Asn Ala His
Gln Asn His Ala
Gln Gln Gly His
Gln Gln His Gly
Ser Ala Glu Tyr
C20H28N4O9 (468.18561980000004)
Ser Ala Tyr Glu
C20H28N4O9 (468.18561980000004)
Ser Cys Phe Ile
Ser Cys Phe Leu
Ser Cys Ile Phe
Ser Cys Leu Phe
Ser Asp Phe Thr
C20H28N4O9 (468.18561980000004)
Ser Asp Thr Phe
C20H28N4O9 (468.18561980000004)
Ser Glu Ala Tyr
C20H28N4O9 (468.18561980000004)
Ser Glu Phe Ser
C20H28N4O9 (468.18561980000004)
Ser Glu His Pro
Ser Glu Pro His
Ser Glu Ser Phe
C20H28N4O9 (468.18561980000004)
Ser Glu Tyr Ala
C20H28N4O9 (468.18561980000004)
Ser Phe Cys Ile
Ser Phe Cys Leu
Ser Phe Asp Thr
C20H28N4O9 (468.18561980000004)
Ser Phe Glu Ser
C20H28N4O9 (468.18561980000004)
Ser Phe Ile Cys
Ser Phe Leu Cys
Ser Phe Ser Glu
C20H28N4O9 (468.18561980000004)
Ser Phe Thr Asp
C20H28N4O9 (468.18561980000004)
Ser His Glu Pro
Ser His Pro Glu
Ser Ile Cys Phe
Ser Ile Phe Cys
Ser Leu Cys Phe
Ser Leu Phe Cys
Ser Pro Glu His
Ser Pro His Glu
Ser Ser Glu Phe
C20H28N4O9 (468.18561980000004)
Ser Ser Phe Glu
C20H28N4O9 (468.18561980000004)
Ser Thr Asp Phe
C20H28N4O9 (468.18561980000004)
Ser Thr Phe Asp
C20H28N4O9 (468.18561980000004)
Ser Tyr Ala Glu
C20H28N4O9 (468.18561980000004)
Ser Tyr Glu Ala
C20H28N4O9 (468.18561980000004)
Thr Ala Asp Tyr
C20H28N4O9 (468.18561980000004)
Thr Ala Phe Met
Thr Ala Met Phe
Thr Ala Tyr Asp
C20H28N4O9 (468.18561980000004)
Thr Cys Phe Val
Thr Cys Val Phe
Thr Asp Ala Tyr
C20H28N4O9 (468.18561980000004)
Thr Asp Phe Ser
C20H28N4O9 (468.18561980000004)
Thr Asp His Pro
Thr Asp Pro His
Thr Asp Ser Phe
C20H28N4O9 (468.18561980000004)
Thr Asp Tyr Ala
C20H28N4O9 (468.18561980000004)
Thr Glu Gly Tyr
C20H28N4O9 (468.18561980000004)
Thr Glu Tyr Gly
C20H28N4O9 (468.18561980000004)
Thr Phe Ala Met
Thr Phe Cys Val
Thr Phe Asp Ser
C20H28N4O9 (468.18561980000004)
Thr Phe Met Ala
Thr Phe Ser Asp
C20H28N4O9 (468.18561980000004)
Thr Phe Val Cys
Thr Gly Glu Tyr
C20H28N4O9 (468.18561980000004)
Thr Gly Tyr Glu
C20H28N4O9 (468.18561980000004)
Thr His Asp Pro
Thr His Pro Asp
Thr Met Ala Phe
Thr Met Phe Ala
Thr Pro Asp His
Thr Pro His Asp
Thr Ser Asp Phe
C20H28N4O9 (468.18561980000004)
Thr Val Cys Phe
Thr Val Phe Cys
Thr Tyr Ala Asp
C20H28N4O9 (468.18561980000004)
Thr Tyr Asp Ala
C20H28N4O9 (468.18561980000004)
Thr Tyr Glu Gly
C20H28N4O9 (468.18561980000004)
Thr Tyr Gly Glu
C20H28N4O9 (468.18561980000004)
Val Cys Phe Thr
Val Cys Thr Phe
Val Phe Cys Thr
Val Phe Thr Cys
Val Gly Met Tyr
Val Gly Tyr Met
Val Met Gly Tyr
Val Met Tyr Gly
Val Thr Cys Phe
Val Thr Phe Cys
Val Tyr Gly Met
Val Tyr Met Gly
Tyr Ala Cys Ile
Tyr Ala Cys Leu
Tyr Ala Asp Thr
C20H28N4O9 (468.18561980000004)
Tyr Ala Glu Ser
C20H28N4O9 (468.18561980000004)
Tyr Ala Ile Cys
Tyr Ala Leu Cys
Tyr Ala Ser Glu
C20H28N4O9 (468.18561980000004)
Tyr Cys Ala Ile
Tyr Cys Ala Leu
Tyr Cys Ile Ala
Tyr Cys Leu Ala
Tyr Asp Ala Thr
C20H28N4O9 (468.18561980000004)
Tyr Asp Thr Ala
C20H28N4O9 (468.18561980000004)
Tyr Glu Ala Ser
C20H28N4O9 (468.18561980000004)
Tyr Glu Gly Thr
C20H28N4O9 (468.18561980000004)
Tyr Glu Ser Ala
C20H28N4O9 (468.18561980000004)
Tyr Glu Thr Gly
C20H28N4O9 (468.18561980000004)
Tyr Gly Glu Thr
C20H28N4O9 (468.18561980000004)
Tyr Gly Met Val
Tyr Gly Thr Glu
C20H28N4O9 (468.18561980000004)
Tyr Gly Val Met
Tyr Ile Ala Cys
Tyr Ile Cys Ala
Tyr Leu Ala Cys
Tyr Leu Cys Ala
Tyr Met Gly Val
Tyr Met Val Gly
Tyr Ser Ala Glu
C20H28N4O9 (468.18561980000004)
Tyr Ser Glu Ala
C20H28N4O9 (468.18561980000004)
Tyr Thr Ala Asp
C20H28N4O9 (468.18561980000004)
Tyr Thr Asp Ala
C20H28N4O9 (468.18561980000004)
Tyr Thr Glu Gly
C20H28N4O9 (468.18561980000004)
Tyr Thr Gly Glu
C20H28N4O9 (468.18561980000004)
Tyr Val Gly Met
Tyr Val Met Gly
3,6-Diamino-10-methylacridinium chloride 3,6-acridinediamine (1:1 :1)
Benzyl [1-[4-[[(4-Fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate
C24H25FN4O5 (468.18088919999997)
1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate
Miransertib HCl
Miransertib hydrochloride (ARQ-092 hydrochloride) is a potent, orally active, selective and allosteric Akt inhibitor with IC50s of 2.7 nM, 14 nM and 8.1 nM for Akt1, Akt2, Akt3, respectively. Miransertib hydrochloride is also a potent the AKT1-E17K mutant protein inhibitor and has the potential for PI3K/AKT-driven tumors and Proteus syndrome research[1]. Miransertib hydrochloride is effective against Leishmania[2].
4-[3-[(1-Oxo-2-propenyl)oxy]propoxy]benzoic acid 4-[(4-propylphenyl)ethynyl]phenyl ester
4-[(5-carbamoyl-o-tolyl)azo]-3-hydroxy-2-methyl-2-naphth-p-anisidide
Acriflavine neutral
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000890 - Anti-Infective Agents
Cotinine fumarate
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
lamifiban
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants
[(E)-5-[(1S,2S,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate
C20H38O8P2 (468.20418079999996)
N-(3-methylbutyl)-6-(4-morpholinylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxamide
C24H28N4O4S (468.18311680000005)
N-[[1-(2-methylpropyl)-2-oxo-3-indolylidene]amino]-3-(1-piperidinylsulfonyl)benzamide
C24H28N4O4S (468.18311680000005)
N-[(1S,3S,4aS,9aR)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(2S,3R,6R)-6-[2-[4-(2-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2R,3R,6S)-6-[2-[4-(2-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2S,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aR,9aS)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C24H28N4O4S (468.18311680000005)
N-[(2R,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C24H25FN4O5 (468.18088919999997)
N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
C23H33ClN2O4S (468.1849448000001)
(2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate
C20H38O8P2 (468.20418079999996)
(2S,2AR,5AS,6R)-1-Benzoyl-6-trimethylsilyl-3,5-dioxo-2,4-diphenyl-1,2,3,4,5,6-hexahydropyrrolo(3,4-C)pyrrole
BAY-3827
C27H25FN6O (468.20737719999994)
BAY-3827 is a potent and selective AMPK inhibitor with IC50 values of 1.4 nM at low (10 μM ATP concentration) and 15 nM at high (2 mM ATP concentration). BAY-3827 shows over 500-fold selectivity for most of the 331 kinases. BAY-3827 prevents phosphorylation of acetyl-CoA carboxylase 1 and shows strongest anti-proliferative activity in androgen-dependent prostate cancer cell lines[1].
[(1r,3as,3br,5as,7s,9ar,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxypropyl 2-methylbut-2-enoate
(1s,2r,3r,4s,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-4,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})cyclohexyl (2z)-2-methylbut-2-enoate
5-[(1,3-dihydroxybutylidene)amino]-2-(2,3-dihydroxypropoxy)-3,4-dihydroxy-6-{2-hydroxy-1-[(1-hydroxyethylidene)amino]propyl}oxane-2-carboxylic acid
C18H32N2O12 (468.19551520000005)
(2s,3s,4r,4as,5s,8r,8ar)-5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-octahydro-1h-naphthalen-2-yl (3s)-4-(acetyloxy)-3-hydroxy-2-methylidenebutanoate
2'-hydroxy-3',4'-dime thoxy-isoflavane-7-o-β-d-glucoside
{"Ingredient_id": "HBIN005735","Ingredient_name": "2'-hydroxy-3',4'-dime thoxy-isoflavane-7-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C23H32O10","Ingredient_Smile": "COC1C=CC(C(C1OC)O)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15836","TCMID_id": "10030","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,4r,5r,6s)-4-amino-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-9,18-diol
4-amino-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-9,18-diol
2-(1h-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]benzene-1,4-diol
C29H28N2O4 (468.20489680000003)
(1r,2r,3s,4r,5s,6r)-3-(acetyloxy)-2,4-dihydroxy-5,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})cyclohexyl (2z)-2-methylbut-2-enoate
(2s,3s,4s,4as,5s,8r,8ar)-5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-octahydro-1h-naphthalen-2-yl (3s)-4-(acetyloxy)-3-hydroxy-2-methylidenebutanoate
4,5-dimethyl (1r,4s,12r,13r,21s)-7,8-dimethoxy-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6(11),7,9,17-tetraene-4,5-dicarboxylate
{2,2a,4-trihydroxy-6,6,7b-trimethyl-octahydrocyclobuta[e]inden-3-yl}methyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
C24H33ClO7 (468.19146980000005)
(1r,2r,3s,4r,5s,6r)-2-(acetyloxy)-3,5-dihydroxy-4,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})cyclohexyl (2z)-2-methylbut-2-enoate
n-[(2s,3r,4r,6r)-3-hydroxy-6-{12-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-2-methyloxan-4-yl]carboximidic acid
(2r,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl 9-(4-hydroxy-3-methylbut-2-en-1-yl)phenazine-1-carboxylate
7-formyl-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalen]-6-ylmethoxysulfonic acid
(3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(1s)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(2s)-2-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxypropyl (2z)-2-methylbut-2-enoate
(1s,2r,3r,4s,5r,6s)-4-(acetyloxy)-2,5-dihydroxy-3,6-bis[(2-methylbut-2-enoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
[1-carboxy-2-(1-{3-carboxy-9,10-dioxo-4,12-diazatetracyclo[6.5.2.0⁴,¹⁵.0¹¹,¹⁴]pentadeca-1(13),8(15),11(14)-trien-7-yl}imidazol-4-yl)ethyl]trimethylazanium
[C23H26N5O6]+ (468.18829960000005)
[(1s)-1-carboxy-2-{1-[(3s,7r)-3-carboxy-9,10-dioxo-4,12-diazatetracyclo[6.5.2.0⁴,¹⁵.0¹¹,¹⁴]pentadeca-1(13),8(15),11(14)-trien-7-yl]imidazol-4-yl}ethyl]trimethylazanium
[C23H26N5O6]+ (468.18829960000005)
(2s,3s,4s,6r)-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-3,11,16-triol
4-(4-hydroxy-3-methylbut-2-en-1-yl)-2,5-bis(1h-indol-3-yl)-3,6-dimethoxyphenol
C29H28N2O4 (468.20489680000003)
[3,4,5-trihydroxy-6-({8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-octahydronaphtho[2,3-b]furan-7-yl}oxy)oxan-2-yl]methyl acetate
bis({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxidanesulfonic acid)
2-(acetyloxy)-3,4-dihydroxy-5,6-bis[(2-methylbut-2-enoyl)oxy]cyclohexyl 2-methylbut-2-enoate
(1s,2s,3r,4r,5r,6r)-3-(acetyloxy)-4,5-dihydroxy-2,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})cyclohexyl (2z)-2-methylbut-2-enoate
[(2r,2ar,3r,4s,4ar,7as,7br)-2,2a,4-trihydroxy-6,6,7b-trimethyl-octahydrocyclobuta[e]inden-3-yl]methyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
C24H33ClO7 (468.19146980000005)
(1s,2s,3r,4r,5s,6r)-3-(acetyloxy)-4,6-dihydroxy-2,5-bis[(2-methylbut-2-enoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
3-(acetyloxy)-2,4-dihydroxy-5,6-bis[(2-methylbut-2-enoyl)oxy]cyclohexyl 2-methylbut-2-enoate
(2r,2'r,4'as,6'r,8'as)-7-formyl-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalen]-6-ylmethoxysulfonic acid
[(2r,3s,4s,5r,6r)-6-{[(3ar,4as,7s,8s,8ar,9ar)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-octahydronaphtho[2,3-b]furan-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1r,2r,3s,4r,5s,6r)-2-(acetyloxy)-3,5-dihydroxy-4-[(2-methylbut-2-enoyl)oxy]-6-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl 2-methylbut-2-enoate
4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl 9-(4-hydroxy-3-methylbut-2-en-1-yl)phenazine-1-carboxylate
4-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2,5-bis(1h-indol-3-yl)-3,6-dimethoxyphenol
C29H28N2O4 (468.20489680000003)
(1s,2r,3r,4s,5r,6s)-4-(acetyloxy)-2,5-dihydroxy-3,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})cyclohexyl (2z)-2-methylbut-2-enoate
5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-octahydro-1h-naphthalen-2-yl 4-(acetyloxy)-3-hydroxy-2-methylidenebutanoate
(1r,2r,15s,17r)-13-hydroxy-3,3,17,26-tetramethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,12,19(28),20,22,24-nonaen-27-one
C29H28N2O4 (468.20489680000003)
(2s,4s,5s,6r)-4-amino-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-9,18-diol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(1r)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1s,2s,15r,17r)-13-hydroxy-3,3,17,26-tetramethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5(14),6,8,10,12,19(28),20,22,24-nonaen-27-one
C29H28N2O4 (468.20489680000003)
4,5-dimethyl 7,8-dimethoxy-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6(11),7,9,17-tetraene-4,5-dicarboxylate
(2s,3r,4s,5s,6r)-5-{[(3s)-1,3-dihydroxybutylidene]amino}-2-[(2r)-2,3-dihydroxypropoxy]-3,4-dihydroxy-6-[(1r,2s)-2-hydroxy-1-[(1-hydroxyethylidene)amino]propyl]oxane-2-carboxylic acid
C18H32N2O12 (468.19551520000005)