Name: Cabralealactone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315757
Cas No:19865-87-3
常用名:Cabralealactone
IUPAC:(5S)-5-[(1S,3aR,3bR,5aR,9aR,9bR,11aR)-3a,3b,6,6,9a-pentamethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
IUPAC:(5S)-5-[(1S,3aR,3bR,5aR,9aR,9bR,11aR)-3a,3b,6,6,9a-pentamethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
InChI key:NOLGXQBEFHYZHI-QPBHWVAKSA-N

分子式:C27H42O3
分子量:414.63
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(=O)O1
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(=O)O1

Cabralealactone displays antimycobacterial activity against Mycobacterium tuberculosis, it is weakly cytotoxic to a breast cancer (BC) cell line, it is moderately active against a small-cell lung cancer (NCI-H187) cell line.

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