Name: Cabraleahydroxylactone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315756
Cas No:35833-69-3
常用名:Cabraleahydroxylactone
IUPAC:(5S)-5-[(1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
IUPAC:(5S)-5-[(1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-7-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
InChI key:AHDUWGQSZYSNEY-HUOCPXEISA-N

分子式:C27H44O3
分子量:416.646
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)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CCC(=O)O1
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CCC(=O)O1

Cabraleahydroxylactone displays antimycobacterial activity against Mycobacterium tuberculosis, it is weakly cytotoxic to a breast cancer (BC) cell line.It shows antiviral activity against herpes simplex virus type-1 with an IC50 value of 3.20 ug/mL, in comparison with the standard acyclovir (IC50=1.90ug/mL).

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