Name: Neopanaxadiol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322302
Cas No:1203590-03-7
常用名:Neopanaxadiol
别名:拟原人参二醇
IUPAC:(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
IUPAC:(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
InChI key:CZMPRYZUTNMZPT-XFDQNDEISA-N

分子式:C30H52O3
分子量:460.743
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)C(\C)=C\CCC(C)(C)O
SMILES:[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)C(\C)=C\CCC(C)(C)O

Neopanaxadiol, an aglycone derived from protopanaxadiol type ginsenosides, exhibits promising potential for Alzheimer's disease research.

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