Name: Ocotillone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317089
Cas No:22549-21-9
常用名:Ocotillone
IUPAC:(1S,3aR,3bR,5aR,9aR,9bR,11aR)-1-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aR,3bR,5aR,9aR,9bR,11aR)-1-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
InChI key:XSQYWMLMQVUWSF-QPYBEPQASA-N

分子式:C30H50O3
分子量:458.727
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCC(O1)C(C)(C)O |@:33|
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCC(O1)C(C)(C)O |@:33|

Ocotillone has potent antibacterial activity against Gram-negative bacteria, P. aeruginosa and S. typhimurium, that are without hemolytic activity, whereas it has weak antimicrobial activity against Gram-positive bacteria and fungi. Ocotillone shows only weak inhibitory activity against MCF-7 and NCI-H460 cells but moderate activity against A375-C5 cells.

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