Name: Catalpin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315773
Cas No:1390-72-3
常用名:Catalpin
IUPAC:(1S,4S,6R,7R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0^{4,11}]undecan-6-yl 4-hydroxybenzoate
IUPAC:(1S,4S,6R,7R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0^{4,11}]undecan-6-yl 4-hydroxybenzoate
InChI key:ZGEFAWWFLHUTII-ZNOBHYIQSA-N

分子式:C16H18O7
分子量:322.313
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12OC[C@]3(O)C[C@@H](OC(=O)c4ccc(O)cc4)[C@]([H])(C[C@@H](O)O1)[C@]23[H]
SMILES:[H][C@]12OC[C@]3(O)C[C@@H](OC(=O)c4ccc(O)cc4)[C@]([H])(C[C@@H](O)O1)[C@]23[H]

Catalpin exhibited mutagenic activity towards Salmonella typhimurium strain TA100 in the presence and absence of rat liver homogenate (S9) mix in Ames' test.

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