Name: Scutebata B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886710
Cas No:1207181-58-5
常用名:Scutebata B
IUPAC:(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl]-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-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]-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl pyridine-3-carboxylate
InChI key:PMRCLNAMSQXGTL-MJSWBYPNSA-N

分子式:C35H39NO10
分子量:633.694
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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)c2ccccc2)[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)c2ccccc2)[C@]1(C)O |c:6,t:19|

Scutebata B inhibited NO production efficiently with IC50 values of lower than 50 μM.

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