Exact Mass: 495.2621
Exact Mass Matches: 495.2621
Found 139 metabolites which its exact mass value is equals to given mass value 495.2621,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Val Tyr Ser Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]hexanoic acid
6-Benzoylheteratisine
8H-13,3,6a-Ethanylylidene-7,10-methanooxepino(3,4-i)-1-benzazocin-8-one, tetradecahydro-14-(benzoyloxy)-1-ethyl-12a-hydroxy-6-methoxy-3-methyl-, (3R-(3-alpha,6-beta,6a-alpha,7-beta,7a-alpha,10-beta,12a-alpha,13-alpha,13a-beta,14S*,15R*))-
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
Phe Lys Thr Thr
(2S,3R)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid
Phe Thr Lys Thr
(2S,3R)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanoic acid
Phe Thr Thr Lys
(2S)-6-amino-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]hexanoic acid
His Pro Arg Ser
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid
His Pro Ser Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid
His Arg Pro Ser
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid
His Arg Ser Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
His Ser Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
His Ser Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Lys Phe Thr Thr
(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid
Lys Ser Val Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Lys Ser Tyr Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid
Lys Thr Phe Thr
(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid
Lys Thr Thr Phe
(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
Lys Val Ser Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid
Lys Val Tyr Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid
Lys Tyr Ser Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
Lys Tyr Val Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-hydroxypropanoic acid
Pro His Arg Ser
(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]-3-hydroxypropanoic acid
Pro His Ser Arg
(2S)-5-carbamimidamido-2-[(2S)-3-hydroxy-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanoic acid
Pro Arg His Ser
(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid
Pro Arg Ser His
(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Pro Ser His Arg
(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanoic acid
Pro Ser Arg His
(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]-3-(1H-imidazol-4-yl)propanoic acid
Arg His Pro Ser
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid
Arg His Ser Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
Arg Pro His Ser
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid
Arg Pro Ser His
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Arg Ser His Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
Arg Ser Pro His
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid
Ser His Pro Arg
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid
Ser His Arg Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Ser Lys Val Tyr
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Ser Lys Tyr Val
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid
Ser Pro His Arg
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid
Ser Pro Arg His
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid
Ser Arg His Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
Ser Arg Pro His
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid
Ser Val Lys Tyr
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid
Ser Val Tyr Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid
Ser Tyr Lys Val
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanoic acid
Ser Tyr Val Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanoic acid
Thr Phe Lys Thr
(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]hexanamido]-3-hydroxybutanoic acid
Thr Phe Thr Lys
(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]hexanoic acid
Thr Lys Phe Thr
(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid
Thr Lys Thr Phe
(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
Thr Thr Phe Lys
(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-phenylpropanamido]hexanoic acid
Thr Thr Lys Phe
(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]hexanamido]-3-phenylpropanoic acid
Val Lys Ser Tyr
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid
Val Lys Tyr Ser
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid
Val Ser Lys Tyr
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid
Val Ser Tyr Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid
Val Tyr Lys Ser
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxypropanoic acid
Tyr Lys Ser Val
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
Tyr Lys Val Ser
(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanamido]-3-hydroxypropanoic acid
Tyr Ser Lys Val
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]hexanamido]-3-methylbutanoic acid
Tyr Ser Val Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-methylbutanamido]hexanoic acid
Tyr Val Lys Ser
(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanamido]-3-hydroxypropanoic acid
Tyr Val Ser Lys
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-hydroxypropanamido]hexanoic acid
(2E,4E,6E,8E)-4,5-dimethoxy-2-nitrobenzyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
(2E,4E,6E,8E)-4,5-dimethoxy-2-nitrobenzyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl] Sumatriptan
2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl] Sumatriptan
(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol
(S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methanol
leukotriene D4(1-)
leukotriene D4(1-)
The leukotriene anion that is the monoanion of leukotriene D4 arising from deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino group.
3-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
3-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
[(1S,2S,6S,9S,10R,14R,17S,18S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,2S,6S,9S,10R,14R,17S,18S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,6S,9S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,6S,9S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
2-amino-3-[[3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
[(1S,2S,6S,9S,10R,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,2S,6S,9S,10R,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,6S,9S,11S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
[(1S,6S,9S,11S,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
PCSK9-IN-13
PCSK9-IN-13
PCSK9-IN-13(compound 3f) is a potent PCSK9 inhibitor, which can antagonize low-density lipoprotein (LDL) receptor binding by binding to PCSK9, with an IC50 of 537 nM[1].
5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
(1r,14r,16s,20s,21s,22r)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
(1r,14r,16s,20s,21s,22r)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
n-{[(8e)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl}hexa-2,4-dienimidic acid
n-{[(8e)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl}hexa-2,4-dienimidic acid
5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
(4e)-n-[(s)-[(1s,2e,5s,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
(4e)-n-[(s)-[(1s,2e,5s,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
benzoyl heteratisine
benzoylheteratisine
{"Ingredient_id": "HBIN017817","Ingredient_name": "benzoyl heteratisine","Alias": "benzoylheteratisine","Ingredient_formula": "C29H37NO6","Ingredient_Smile": "CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)OC(=O)C7=CC=CC=C7)OC)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24392;2243","TCMSP_id": "NA","TCM_ID_id": "6368","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4e,6r,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
(1s,4e,6r,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
(2z,4e)-n-[(r)-[(1r,2e,5r,8e,10z,14e,17r)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
(2z,4e)-n-[(r)-[(1r,2e,5r,8e,10z,14e,17r)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
(1s,6s,9s,10r,14r,17s,19s)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-19-yl benzoate
(1s,6s,9s,10r,14r,17s,19s)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-19-yl benzoate
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
(2z,4e)-n-[(s)-[(1s,2z,5s,8z,10z,14z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
(2z,4e)-n-[(s)-[(1s,2z,5s,8z,10z,14z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,14e,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl](hydroxy)methyl]hexa-2,4-dienimidic acid
3-[1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3-(sec-butyl)-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
3-[1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3-(sec-butyl)-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
3-[(3s,6s,9s,17ar)-3-[(2s)-butan-2-yl]-1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
3-[(3s,6s,9s,17ar)-3-[(2s)-butan-2-yl]-1,4,7,10-tetrahydroxy-6-isopropyl-13-oxo-3h,6h,9h,12h,15h,16h,17h,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]propanoic acid
(5r,9r,12ar,13s,15s,15ar,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
(5r,9r,12ar,13s,15s,15ar,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
(1s,14r,16r,20r,21s,22s)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
(1s,14r,16r,20r,21s,22s)-21,22-dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
