Name: Picfeltarraegenin X
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214314584
Cas No:1391826-61-1
常用名:Picfeltarraegenin X
别名:苦玄参苷X, Picfeltarraenin X
IUPAC:(2S)-2-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-(propan-2-yl)-2,3-dihydrofuran-3-one
IUPAC:(2S)-2-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-(propan-2-yl)-2,3-dihydrofuran-3-one
InChI key:WZLJFFOIPJDGBU-GWISKLRQSA-N

分子式:C36H54O11
分子量:662.817
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@]1(C)OC(=CC1=O)C(C)C |c:10,48|
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@]1(C)OC(=CC1=O)C(C)C |c:10,48|

Picfeltarraenin X shows stronger AChE inhibition than the known AChE inhibitor Tacrine.

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