Name: 6-O-Nicotinoylscutebarbatine G
Rating: 5 (10 reviews)

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HIT ID:HIT212665215
Cas No:1206805-30-2
常用名:6-O-Nicotinoylscutebarbatine G
别名:6-O-烟酰半枝莲碱 G
IUPAC:(3R,4aR,5S,6R,6aR,10R,10aS,10bR)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-1,2,4a,5,6,6a,9,10,10a,10b-decahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate
IUPAC:(3R,4aR,5S,6R,6aR,10R,10aS,10bR)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-1,2,4a,5,6,6a,9,10,10a,10b-decahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate
InChI key:YRHBQGMATXHLKG-WGKNOFBZSA-N

分子式:C32H36N2O8
分子量:576.646
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:3.0248337
SMILES:CC1=CC[C@@H](OC(=O)c2cccnc2)[C@@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C |t:1|
SMILES:CC1=CC[C@@H](OC(=O)c2cccnc2)[C@@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C |t:1|

6-O-Nicotinoylscutebarbatine G shows cytotoxic activities against three human tumor cell lines, namely, HONE-1 nasopharyngeal, KB oral epidermoid carcinoma, and HT29 colorectal carcinoma cells, and with IC50 values in the range of 2.1 5.7 μM.

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