Name: CAP-7.1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318318
Cas No:433304-61-1
常用名:CAP-7.1
别名:CAP7.1
IUPAC:4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-10-yl]-2,6-dimethoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
IUPAC:4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-10-yl]-2,6-dimethoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
InChI key:FCWSQAKOPTZCOD-SQYSSJHTSA-N

分子式:C36H42O17
分子量:746.715
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC(=O)OCC3COC(C)(C)O3)c(OC)c1)c1cc3OCOc3cc1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O
SMILES:[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC(=O)OCC3COC(C)(C)O3)c(OC)c1)c1cc3OCOc3cc1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O

CAP-7.1, a DNA topoisomerase inhibitor, is used potentially for the treatment of biliary cancer and non-small cell lung cancer.

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