Dodecanoic acid ingenol ester | 正十二烷酸巨大戟酯 | 13-Oxyingenol dodecanoat | CAS 54706-70-6 | AnyMole

有库存

HIT214314412

sdf 文件

结构编辑

类似物检索

HIT214314412

HIT ID:HIT214314412
Cas No:54706-70-6
常用名:Dodecanoic acid ingenol ester
别名:正十二烷酸巨大戟酯, 13-Oxyingenol dodecanoat
IUPAC:(1S,4S,5R,6R,9R,10R,12S,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-12-yl dodecanoate
IUPAC:(1S,4S,5R,6R,9R,10R,12S,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-12-yl dodecanoate
InChI key:FEZDDYPHEHMXLF-TUYTYIEPSA-N

分子式:C32H50O7
分子量:546.745
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@]4([C@H](C)C[C@@]1(OC(=O)CCCCCCCCCCC)C2(C)C)C3=O |c:14,t:3|
SMILES:[H][C@]12[C@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@]4([C@H](C)C[C@@]1(OC(=O)CCCCCCCCCCC)C2(C)C)C3=O |c:14,t:3|

Dodecanoic acid ingenol ester, a natural compound, shows moderate cytotoxicity with IC50 values being 35.59 μM (Caco-2), 24.04 μM (MCF-7), and 22.24 μM (MCF-7/ADM).

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
35日内发货
纯度
-
¥ 3,480.00
1

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