Name: Kulactone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314545
Cas No:22611-36-5
常用名:Kulactone
别名:苦楝萜酮内酯
IUPAC:(2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-en-1-yl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-6,16-dione
IUPAC:(2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-en-1-yl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-6,16-dione
InChI key:ZIVZDNPCRURPNL-QCWHEMHRSA-N

分子式:C30H44O3
分子量:452.679
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[#6][C@]3([#6])[#6]4=[#6]-[#6][C@@]5([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]5([#6])[C@@]4([H])[#6]-[#6][C@@]3([#6])[C@]1([H])[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]2 |t:5|
SMILES:[H][C@]12[#6][C@]3([#6])[#6]4=[#6]-[#6][C@@]5([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]5([#6])[C@@]4([H])[#6]-[#6][C@@]3([#6])[C@]1([H])[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]2 |t:5|

Kulactone has cytotoxic effects, with IC50 values of 5.6-21.2ug/mL, it inhibited (ED(50) 2.5-6.2 microg/mL) the P388 cancer cell line.

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