Name: Apratoxin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319031
Cas No:350791-64-9
常用名:Apratoxin A
IUPAC:(2S,3S,5S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0^{10,14}]triaconta-1(30),25-diene-9,15,18,21,24-pentone
IUPAC:(2S,3S,5S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0^{10,14}]triaconta-1(30),25-diene-9,15,18,21,24-pentone
InChI key:KXUJXPZXILTXDA-JNEBNOIBSA-N

分子式:C45H69N5O8S
分子量:840.13
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)CC(OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)\C(C)=C\2)C(C)(C)C |c:4,t:59,@:58|
SMILES:[H][C@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)CC(OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)\C(C)=C\2)C(C)(C)C |c:4,t:59,@:58|

Apratoxin A is a potent cytotoxin isolated from the marine cyanobacterium Lyngbya majuscula Harvey ex Gomont.

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