Summary

IMPPAT Phytochemical identifier: IMPHY014248

Phytochemical name: Vincaminoreine

Synonymous chemical names:
vincaminoreine

External chemical identifiers:
CID:12444831, ZINC:ZINC000085982307

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Chemical structure information

SMILES:
COC(=O)[C@@H]1C[C@]2(CC)CCCN(C2)CCc2c1n(C)c1c2cccc1

InChI:
InChI=1S/C22H30N2O2/c1-4-22-11-7-12-24(15-22)13-10-17-16-8-5-6-9-19(16)23(2)20(17)18(14-22)21(25)26-3/h5-6,8-9,18H,4,7,10-15H2,1-3H3/t18-,22+/m1/s1

InChIKey:
AULRJVXQWYCCSG-GCJKJVERSA-N

DeepSMILES:
COC=O)[C@@H]C[C@]CC))CCCNC6)CCcc%11nC)cc5cccc6

Functional groups:
CN(C)C, COC(C)=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)CCC1CCCN(CC3)C1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCC3CCCN(CCC12)C3

Scaffold Graph level:
C1CC2CCC3CC4CCCCC4C3CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Quebrachamine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Yohimbine-like alkaloids

NP-Likeness score: 0.745

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Chemical structure download