Name: Bellericagenin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850435
Cas No:
常用名:Bellericagenin A
IUPAC:(4aS,6aR,6bR,7R,8aR,9R,10R,11R,12aR,12bR,14bS)-7,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aR,6bR,7R,8aR,9R,10R,11R,12aR,12bR,14bS)-7,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:ALRKHWWSWMFBNQ-HFMPVVHUSA-N

分子式:C30H48O6
分子量:504.708
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])C[C@@H](O)[C@@]12C)C(O)=O
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])C[C@@H](O)[C@@]12C)C(O)=O

Bellericagenin A，一种五环三萜酸，源自Terminalia bellerica树皮，具有抗菌活性。其对酒精脱氢酶（ADH）表现出高亲和力，显示出对治疗酒精性肝损伤的潜在效果。

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