Name: Coronalolide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885512
Cas No:268214-51-3
常用名:Coronalolide
IUPAC: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]propanoic acid
IUPAC: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]propanoic acid
InChI key:YLQIANWVVVMWMO-VDPDGNGOSA-N

分子式:C30H42O5
分子量:482.661
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
SMILES:C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C

Coronalolide shows significant cytotoxic activities in P-388 cell line, it also displays significant anti-HIV activities in the HIV-1RT assay. Coronalolide and coronalolide methyl ester show broad cytotoxic activity against a panel of human cancer cell lines.

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