Name: Ceanothic acid
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314484
Cas No:21302-79-4
常用名:Ceanothic acid
别名:美洲茶酸
IUPAC:(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icosane-5,15-dicarboxylic acid
IUPAC:(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icosane-5,15-dicarboxylic acid
InChI key:WLCHQSHZHFLMJH-VILVJDKQSA-N

分子式:C30H46O5
分子量:486.693
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(O)=O)C(C)=C)[C@@]1(C)[C@H]([C@H](O)C2(C)C)C(O)=O
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(O)=O)C(C)=C)[C@@]1(C)[C@H]([C@H](O)C2(C)C)C(O)=O

Ceanothic acid derivatives show cytotoxic effect against OVCAR-3 and HeLa cancer cell lines.

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