Exact Mass: 580.2917
Exact Mass Matches: 580.2917
Found 126 metabolites which its exact mass value is equals to given mass value 580.2917,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
(S)-3-(4-Methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide
2-[(1-Hydroxy-2-{[1-hydroxy-2-(morpholin-4-yl)ethylidene]amino}propylidene)amino]-3-(4-methoxyphenyl)-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]propanimidate
butanoic acid rel-(1aR,3S,3aS,4S,4aS,5R,6R,7aS,9R,9aS,9bR)-3,5-bis(acetyloxy)-3a[(acetyloxy)methyl]-1a,2,3,3a,4,4a,5,6,7,7a,8,9a,9b-tetradecahydro-7a,9-dihydroxy-1,1,6,9-tetramethyl-8-oxo-1H-cyclopropa[3,4]benzo[1,2-f]azulen-4-yl ester|kandovanol ester B
butanoic acid rel-(1aR,3S,3aS,4S,4aS,5R,6R,7aS,9R,9aS,9bR)-3,5-bis(acetyloxy)-3a[(acetyloxy)methyl]-1a,2,3,3a,4,4a,5,6,7,7a,8,9a,9b-tetradecahydro-7a,9-dihydroxy-1,1,6,9-tetramethyl-8-oxo-1H-cyclopropa[3,4]benzo[1,2-f]azulen-4-yl ester|kandovanol ester B
14-angeloyloxy-12-(cacalohastin-14-yl)cacalohastine
14-angeloyloxy-12-(cacalohastin-14-yl)cacalohastine
Tyr Arg Lys Asp
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]hexanamido]butanedioic acid
Tyr Lys Asp Arg
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid
Cys Phe Arg Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Cys Arg Phe Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Cys Arg Arg Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
Asp Lys Arg Tyr
(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}propanoic acid
Asp Lys Tyr Arg
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-carboxypropanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Asp Arg Lys Tyr
(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}propanoic acid
Asp Arg Tyr Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid
Asp Tyr Lys Arg
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-5-carbamimidamidopentanoic acid
Asp Tyr Arg Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]hexanoic acid
Phe Cys Arg Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Phe Lys Thr Trp
(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Lys Trp Thr
(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid
Phe Arg Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
Phe Arg Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
Phe Thr Lys Trp
(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Thr Trp Lys
(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
Phe Trp Lys Thr
(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxybutanoic acid
Phe Trp Thr Lys
(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]hexanoic acid
Lys Asp Arg Tyr
(3S)-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid
Lys Asp Tyr Arg
(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2,6-diaminohexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]pentanoic acid
Lys Phe Thr Trp
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid
Lys Phe Trp Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid
Lys Arg Asp Tyr
(3S)-3-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Lys Arg Tyr Asp
(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Lys Thr Phe Trp
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Lys Thr Trp Phe
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Lys Trp Phe Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid
Lys Trp Thr Phe
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
Lys Tyr Asp Arg
(2S)-5-carbamimidamido-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]pentanoic acid
Lys Tyr Arg Asp
(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]butanedioic acid
Arg Cys Phe Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Arg Cys Arg Phe
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
Arg Asp Lys Tyr
(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-amino-5-carbamimidamidopentanamido]propanoic acid
Arg Asp Tyr Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid
Arg Phe Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
Arg Phe Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
Arg Lys Asp Tyr
(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Arg Lys Tyr Asp
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Arg Arg Cys Phe
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
Arg Arg Phe Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
Arg Tyr Asp Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]hexanoic acid
Arg Tyr Lys Asp
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]butanedioic acid
Thr Phe Lys Trp
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid
Thr Phe Trp Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
Thr Lys Phe Trp
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Thr Lys Trp Phe
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Thr Trp Phe Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanoic acid
Thr Trp Lys Phe
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-phenylpropanoic acid
Trp Phe Lys Thr
(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanamido]-3-hydroxybutanoic acid
Trp Phe Thr Lys
(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-hydroxybutanamido]hexanoic acid
Trp Lys Phe Thr
(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid
Trp Lys Thr Phe
(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
Trp Thr Phe Lys
(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]hexanoic acid
Trp Thr Lys Phe
(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]hexanamido]-3-phenylpropanoic acid
Tyr Asp Lys Arg
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]hexanamido]-5-carbamimidamidopentanoic acid
Tyr Asp Arg Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]hexanoic acid
Tyr Lys Arg Asp
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-5-carbamimidamidopentanamido]butanedioic acid
Tyr Arg Asp Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]hexanoic acid
N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor ASP3026 is a selective and orally active inhibitor of anaplastic lymphoma kinase (ALK). ASP3026 is a selective and oral active anaplastic lymphoma kinase (ALK) inhibitor with a IC50 value of 3.5 nM. ASP3026 can inhibit the phosphorylation of IGF-1R, STAT3, AKT and JNK proteins, and induce the cleavage of caspase 3 and PARP. It also inhibited ROS and ACK. ASP3026 can be used in anti-tumor research[1][2][3][4].
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]prop-2-enamide
N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]prop-2-enamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aR,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aR,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aS,12aS)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aS,12aS)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aS,12aR)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aS,12aR)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aS,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
N-[(2R,4aS,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
4,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7,9-dihydroxy-5,9,12,12-tetramethyl-8-oxotetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl butanoate
4,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7,9-dihydroxy-5,9,12,12-tetramethyl-8-oxotetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl butanoate
(1s,2r,3s,4s,5r,8s,9r,10s,11s,12z,14s,17r)-2-(acetyloxy)-4,5,9,10-tetrahydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl octanoate
(1s,2r,3s,4s,5r,8s,9r,10s,11s,12z,14s,17r)-2-(acetyloxy)-4,5,9,10-tetrahydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl octanoate
(2s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl]pyrrolidine-2-carboximidic acid
(2s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl]pyrrolidine-2-carboximidic acid
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one
(1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one
antiarojavoside
NA
{"Ingredient_id": "HBIN016304","Ingredient_name": "antiarojavoside","Alias": "NA","Ingredient_formula": "C30H44O11","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1378","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[9-methoxy-2-({9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl}methyl)-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl 2-methylbut-2-enoate
[9-methoxy-2-({9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl}methyl)-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl 2-methylbut-2-enoate
5-[(1r,2s,3as,3br,5as,7s,9ar,9bs,11ar)-2,3a,5a-trihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
5-[(1r,2s,3as,3br,5as,7s,9ar,9bs,11ar)-2,3a,5a-trihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
(1s,2z,9z,11z,14r,15z,17z,20s,22r,24r)-20,24-dihydroxy-6-methyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,23-dioxabicyclo[20.1.1]tetracosa-2,9,11,15,17-pentaen-8-one
(1s,2z,9z,11z,14r,15z,17z,20s,22r,24r)-20,24-dihydroxy-6-methyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,23-dioxabicyclo[20.1.1]tetracosa-2,9,11,15,17-pentaen-8-one
(1s,2z,9z,11z,14r,15z,17z,20s,23s)-20,23-dihydroxy-6-methyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-8-one
(1s,2z,9z,11z,14r,15z,17z,20s,23s)-20,23-dihydroxy-6-methyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-8-one
n-(5-carbamimidamido-1-oxopentan-2-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl)pyrrolidine-2-carboximidic acid
n-(5-carbamimidamido-1-oxopentan-2-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl)pyrrolidine-2-carboximidic acid
[(2r,3s,4s,5r,6r)-6-{[(1r,4s,4ar,6s,8ar)-4,6-dihydroxy-6-isopropyl-4,8a-dimethyl-hexahydro-1h-naphthalen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2r,3s,4s,5r,6r)-6-{[(1r,4s,4ar,6s,8ar)-4,6-dihydroxy-6-isopropyl-4,8a-dimethyl-hexahydro-1h-naphthalen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
5-(2,3a,5a-trihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)pyran-2-one
5-(2,3a,5a-trihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)pyran-2-one
(3s,5s)-2-[(1s,2s,3s,4r,6r)-2,4-dihydroxy-4-methyl-3,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})-5-oxocyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
(3s,5s)-2-[(1s,2s,3s,4r,6r)-2,4-dihydroxy-4-methyl-3,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})-5-oxocyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(3s,3ar,4r,6r,6as,7r,8r,9bs)-6-(acetyloxy)-3,3a,4-trihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl octanoate
(3s,3ar,4r,6r,6as,7r,8r,9bs)-6-(acetyloxy)-3,3a,4-trihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl octanoate
[(5s)-9-methoxy-2-{[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl}-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate
[(5s)-9-methoxy-2-{[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl}-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate
{6-[(4,6-dihydroxy-6-isopropyl-4,8a-dimethyl-hexahydro-1h-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
{6-[(4,6-dihydroxy-6-isopropyl-4,8a-dimethyl-hexahydro-1h-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
2-{2,4-dihydroxy-4-methyl-3,6-bis[(2-methylbut-2-enoyl)oxy]-5-oxocyclohexyl}-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
2-{2,4-dihydroxy-4-methyl-3,6-bis[(2-methylbut-2-enoyl)oxy]-5-oxocyclohexyl}-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
6-(acetyloxy)-3,3a,4-trihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl octanoate
6-(acetyloxy)-3,3a,4-trihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl octanoate
7-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
7-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,2s,3s,4ar,5s,6r,8s,8ar)-5-[(2s,3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
(1r,2s,3s,4ar,5s,6r,8s,8ar)-5-[(2s,3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-2-hydroxy-3-[(2z,9z)-octadeca-2,9-dienoyloxy]propoxy]oxan-2-yl]methanesulfonic acid
[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-2-hydroxy-3-[(2z,9z)-octadeca-2,9-dienoyloxy]propoxy]oxan-2-yl]methanesulfonic acid
(1s,2s,3s,4r,5r,7s,9r,10s,11r,13r,15s)-4,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7,9-dihydroxy-5,9,12,12-tetramethyl-8-oxotetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl butanoate
(1s,2s,3s,4r,5r,7s,9r,10s,11r,13r,15s)-4,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7,9-dihydroxy-5,9,12,12-tetramethyl-8-oxotetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl butanoate
3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5-{hexahydrofuro[2,3-b]furan-2-yl}-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
3,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5-{hexahydrofuro[2,3-b]furan-2-yl}-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate
