Name: Caesalmin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315759
Cas No:352658-23-2
常用名:Caesalmin B
IUPAC:(1S,8S,11S,13R,17S,18S,19R)-13-hydroxy-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-17-yl acetate
IUPAC:(1S,8S,11S,13R,17S,18S,19R)-13-hydroxy-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-17-yl acetate
InChI key:GXBMHMVGIRRPBD-XTVZKPICSA-N

分子式:C22H28O6
分子量:388.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@@]3([H])Cc4occc4[C@@]([H])(C(=O)O1)[C@]23[H]
SMILES:[H][C@@]12C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@@]3([H])Cc4occc4[C@@]([H])(C(=O)O1)[C@]23[H]

Caesalmin B shows significant dose-dependent inhibitory effects on Plasmodium falciparum FCR-3/A2 growth in vitro.

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