Summary

IMPPAT Phytochemical identifier: IMPHY007883

Phytochemical name: Eburnamenine

Synonymous chemical names:
eburnamenine

External chemical identifiers:
CID:6857502, ChEMBL:CHEMBL3912953, ChEBI:35644, ZINC:ZINC000038190839

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Chemical structure information

SMILES:
CC[C@@]12CCCN3[C@H]2c2n(C=C1)c1c(c2CC3)cccc1

InChI:
InChI=1S/C19H22N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-4,6-7,10,13,18H,2,5,8-9,11-12H2,1H3/t18-,19+/m0/s1

InChIKey:
VKTOXAGUZWAECL-RBUKOAKNSA-N

DeepSMILES:
CC[C@]CCCN[C@H]6cnC=C%10))ccc5CC9)))cccc6

Functional groups:
CN(C)C, cn(c)C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cn2c3c(c4ccccc42)CCN2CCCC1C32

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43

Scaffold Graph level:
C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Eburnan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 1.632

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Chemical structure download