Name: Scutebarbatine X
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212665896
Cas No:1312716-26-9
常用名:Scutebarbatine X
别名:半枝莲碱 X
IUPAC:(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-1-(pyridine-3-carbonyloxy)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl pyridine-3-carboxylate
IUPAC:(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-1-(pyridine-3-carbonyloxy)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl pyridine-3-carboxylate
InChI key:LOVZWLNTNWLURP-NCDJTCFZSA-N

分子式:C34H38N2O10
分子量:634.682
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:3.054443
SMILES:CC(=O)O[C@@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O |c:6,t:19|
SMILES:CC(=O)O[C@@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O |c:6,t:19|

Scutebarbatine X can inhibit nitric oxide production efficiently with IC50 values of lower than 50 μM, it may have potential effects on the reduction of neuroinflammation.

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