Name: Vinorine
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214316257
Cas No:34020-07-0
常用名:Vinorine
IUPAC:(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5,8-tetraen-18-yl acetate
IUPAC:(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5,8-tetraen-18-yl acetate
InChI key:CLDVMRAEPFQOSD-PCTANZRLSA-N

分子式:C21H22N2O2
分子量:334.419
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]34[C@H](OC(C)=O)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2C\C1=C\C)C3=Nc1ccccc41 |c:25,TLB:4:3:16:9.11.13,4:9:14.13:18.17,21:14:1.9:18.17,2:1:14.13:18.17,18:11:16:3.21.2,17:16:3.21.2:9.11.13,28:3:16:9.11.13,THB:4:9:16:3.21.2,13:14:2:4.9,17:16:2:4.9|
SMILES:[H][C@]12C[C@]34[C@H](OC(C)=O)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2C\C1=C\C)C3=Nc1ccccc41 |c:25,TLB:4:3:16:9.11.13,4:9:14.13:18.17,21:14:1.9:18.17,2:1:14.13:18.17,18:11:16:3.21.2,17:16:3.21.2:9.11.13,28:3:16:9.11.13,THB:4:9:16:3.21.2,13:14:2:4.9,17:16:2:4.9|

Vinorine is a direct biosynthetic precursor along the complex pathway to the monoterpenoid indole alkaloid ajmaline, an antiarrhythmic drug from the Indian medicinal plant Rauvolfia serpentina.

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