Name: Coronalolide methyl ester
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315791
Cas No:268214-50-2
常用名:Coronalolide methyl ester
IUPAC:methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0^{1,3}.0^{4,8}.0^{11,15}]heptadecan-3-yl]propanoate
IUPAC:methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0^{1,3}.0^{4,8}.0^{11,15}]heptadecan-3-yl]propanoate
InChI key:FPFAZZFTBDKRJL-PXERRMOCSA-N

分子式:C31H44O5
分子量:496.688
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]3([H])[C@@]4(C[C@]4(CCC(=O)OC)[C@]1([H])C(=C)C(=O)O2)CC[C@]1(C)[C@]([H])(CC[C@@]31C)[C@H](C)CC\C=C(/C)C=O
SMILES:[H][C@@]12C[C@]3([H])[C@@]4(C[C@]4(CCC(=O)OC)[C@]1([H])C(=C)C(=O)O2)CC[C@]1(C)[C@]([H])(CC[C@@]31C)[C@H](C)CC\C=C(/C)C=O

Coronalolide methyl ester displays significant anti-HIV activities in the HIV-1RT assay. It and coronalolide show broad cytotoxic activity against a panel of human cancer cell lines.

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