Name: Calyxin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884457
Cas No:164991-53-1
常用名:Calyxin B
IUPAC:(2E)-1-{2,4-dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-en-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC:(2E)-1-{2,4-dihydroxy-3-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-en-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
InChI key:DHYXVFFHVYUZJU-PEVIGJGQSA-N

分子式:C35H34O8
分子量:582.649
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1
SMILES:COc1cc(O)c([C@@H](\C=C\C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)\C=C\c1ccc(O)cc1

Calyxin B exhibits potent activity against human HT-1080 fibrosarcoma cells with an ED50 value of 0.69 microM. A methylated product of calyxin A and an epimeric mixture of Calyxin B, showed greatly reduced activity suggesting that phenolic hydroxyl groups are involved in the inhibitory activity.

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