Name: 2-Deacetoxytaxinine J
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886904
Cas No:119347-14-7
常用名:2-Deacetoxytaxinine J
IUPAC:(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate
IUPAC:(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate
InChI key:MIJTXBNFQDJTPL-PXORYUGNSA-N

分子式:C37H46O10
分子量:650.765
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)O[C@H]1C[C@H]2C[C@@H]3C(=C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(=O)\C=C\c1ccccc1 |t:31|
SMILES:CC(=O)O[C@H]1C[C@H]2C[C@@H]3C(=C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(=O)\C=C\c1ccccc1 |t:31|

2-Deacetoxytaxinine J shows significant in vitro activity against breast cancer cell line at a concentration of 20 microM and 10 microM in MCF-7 and MDA-MB-231 respectively.

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