Name: Chlorovaltrate K
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315780
Cas No:96801-92-2
常用名:Chlorovaltrate K
IUPAC:[(1S,4aS,6S,7S,7aS)-6-(acetyloxy)-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
IUPAC:[(1S,4aS,6S,7S,7aS)-6-(acetyloxy)-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
InChI key:QERAXRDNYJPTRN-PNBTUHDLSA-N

分子式:C22H33ClO8
分子量:460.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@H](OC(C)=O)[C@](O)(CCl)[C@@]1([H])[C@H](OC(=O)CC(C)C)OC=C2COC(=O)CC(C)C |c:24|
SMILES:[H][C@]12C[C@H](OC(C)=O)[C@](O)(CCl)[C@@]1([H])[C@H](OC(=O)CC(C)C)OC=C2COC(=O)CC(C)C |c:24|

Chlorovaltrate K shows moderate cytotoxicity against lung adenocarcinoma (A 549), metastatic prostate cancer (PC-3M), colon cancer (HCT-8) and hepatoma (Bel 7402) cell lines with IC50 values of 0.89-9.76 uM.

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