Name: Scutebarbatine A
Rating: 5 (10 reviews)

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HIT ID:HIT212665893
Cas No:176520-13-1
常用名:Scutebarbatine A
别名:半枝莲碱
IUPAC:(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(1E)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl pyridine-3-carboxylate
IUPAC:(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(1E)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl pyridine-3-carboxylate
InChI key:CFCKNUOZCOKYOO-JUJIBZTHSA-N

分子式:C32H34N2O7
分子量:558.631
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:4.0008645
SMILES:[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1 |t:4,40|
SMILES:[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1 |t:4,40|

Scutebarbatine A shows significant antitumor effects on A549 cells in vivo and in vitro via mitochondria-mediated apoptosis by up-regulating expressions of caspase-3 and 9, and down-regulating Bcl-2. Scutebarbatine A and barbatine A show a significant ability to protect cells against H2O2 with ED50 values of 5.0 and 16.8 μM, respectively.

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