Name: Guanfu base H
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671351
Cas No:4758-99-0
常用名:Guanfu base H
别名:Atisinium chloride
IUPAC:(1S,2S,4S,6R,7S,10R,11R)-6-hydroxy-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2^{4,7}.0^{1,10}.0^{2,7}]nonadec-13-en-13-ium chloride
IUPAC:(1S,2S,4S,6R,7S,10R,11R)-6-hydroxy-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2^{4,7}.0^{1,10}.0^{2,7}]nonadec-13-en-13-ium chloride
InChI key:CTQGDDPQMCXQJW-NWDYWHSLSA-M

分子式:C22H34ClNO2
分子量:379.97
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:-1.1581138
SMILES:[Cl-].[H][C@]12CC[C@@]3(CC[C@]4([H])[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@]3([H])C1)[C@H](O)C2=C |t:16,TLB:26:25:22.24:3.4,15:22:3.4:25.27|
SMILES:[Cl-].[H][C@]12CC[C@@]3(CC[C@]4([H])[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@]3([H])C1)[C@H](O)C2=C |t:16,TLB:26:25:22.24:3.4,15:22:3.4:25.27|

Guanfu base H is a diterpenoid alkaloid isolated from Aconitum coreanum. It has antiplasmodial activity against the malarial Plasmodium falciparum strains TM4/8.2 (wild type) and K1CB1 (IC50s: 4 μM and 3.6 μM).

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