Name: Cabraleadiol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315754
Cas No:67253-01-4
常用名:Cabraleadiol
IUPAC:(1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-1-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-1-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
InChI key:RQBNSDSKUAGBOI-PLJHWBKBSA-N

分子式:C30H52O3
分子量:460.743
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(O1)C(C)(C)O |@:33|
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(O1)C(C)(C)O |@:33|

Cabraleadiol displays antimycobacterial activity against Mycobacterium tuberculosis, it also is weakly cytotoxic to a breast cancer (BC) cell line. Cabraleadiol inhibits photosystem II (PS II) and induces the appearance of small G band which is related with the decreased plastoquinone (PQ) pool reduction.

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