Exact Mass: 580.2883
Exact Mass Matches: 580.2883
Found 126 metabolites which its exact mass value is equals to given mass value 580.2883,
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
(2-L-valine)-pithomycolide|(3S)-3r,9c-diisopropyl-6c,7-dimethyl-13t,17t-diphenyl-1,10,14-trioxa-4,7-diaza-cycloheptadecane-2,5,8,11,15-pentaone|cyclo-(N-methyl-L-alanyl->L-valyl->D-3-hydroxy-3-phenyl-propionyl->D-3-hydroxy-3-phenyl-propionyl->L-2-hydroxy-3-methyl-butyryl)
(2-L-valine)-pithomycolide|(3S)-3r,9c-diisopropyl-6c,7-dimethyl-13t,17t-diphenyl-1,10,14-trioxa-4,7-diaza-cycloheptadecane-2,5,8,11,15-pentaone|cyclo-(N-methyl-L-alanyl->L-valyl->D-3-hydroxy-3-phenyl-propionyl->D-3-hydroxy-3-phenyl-propionyl->L-2-hydroxy-3-methyl-butyryl)
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 Met Gln Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
Phe Met Arg Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
Phe Gln Met Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid
Phe Gln Arg Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic 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 Met Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid
Phe Arg Gln Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
Phe Arg Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic 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 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 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
Met Phe Gln Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
Met Phe Arg Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
Met Gln Phe Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Met Gln Arg Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
Met Arg Phe Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid
Met Arg Gln Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid
Gln Phe Met Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid
Gln Phe Arg Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid
Gln Met Phe Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Gln Met Arg Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
Gln Arg Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
Gln Arg Met Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic 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 Met Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid
Arg Phe Gln Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic 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 Met Phe Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid
Arg Met Gln Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid
Arg Gln Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
Arg Gln Met Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic 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
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
(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
5-hydroxy-3,9-diisopropyl-6,7-dimethyl-13,17-diphenyl-1,10,14-trioxa-4,7-diazacycloheptadec-4-ene-2,8,11,15-tetrone
5-hydroxy-3,9-diisopropyl-6,7-dimethyl-13,17-diphenyl-1,10,14-trioxa-4,7-diazacycloheptadec-4-ene-2,8,11,15-tetrone
(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
[(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
(3s,6s,9s,13s,17s)-5-hydroxy-3,9-diisopropyl-6,7-dimethyl-13,17-diphenyl-1,10,14-trioxa-4,7-diazacycloheptadec-4-ene-2,8,11,15-tetrone
(3s,6s,9s,13s,17s)-5-hydroxy-3,9-diisopropyl-6,7-dimethyl-13,17-diphenyl-1,10,14-trioxa-4,7-diazacycloheptadec-4-ene-2,8,11,15-tetrone
(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
