Name: Bonducellpin D
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315742
Cas No:197781-85-4
常用名:Bonducellpin D
IUPAC:(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{13,18}]nonadeca-3(7),5-dien-12-yl acetate
IUPAC:(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{13,18}]nonadeca-3(7),5-dien-12-yl acetate
InChI key:WIKUZWCBCFNRHH-ZCQRYNMDSA-N

分子式:C22H28O7
分子量:404.459
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OC(=O)[C@]3([H])c4ccoc4C[C@@]([H])([C@@]13[H])[C@@]1(C)[C@@H](O)CCC(C)(C)[C@]1(O)[C@H]2OC(C)=O
SMILES:[H][C@@]12OC(=O)[C@]3([H])c4ccoc4C[C@@]([H])([C@@]13[H])[C@@]1(C)[C@@H](O)CCC(C)(C)[C@]1(O)[C@H]2OC(C)=O

Bonducellpin D may show inhibitory activities on the Para3 virus. It also exhibits moderate activity against four tested human cancer cell lines, HepG-2, K562, HeLa, and Du145.

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