Name: Conicasterol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665374
Cas No:76758-18-4
常用名:Conicasterol
IUPAC:(1R,5aR,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-6-methylidene-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,5aR,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-6-methylidene-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:BDIHZBORJCSTHA-TYRJJJPYSA-N

分子式:C29H48O
分子量:412.702
氢键供体数 (HBD):1
氢键受体数 (HBA):1
LogP:7.451531
SMILES:CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |c:12|
SMILES:CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |c:12|

Conicasterol displays marked cytotoxic activity against human breast adenocarcinoma cell line (MCF-7) with the IC50 value of 6.23 ug/mL.

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