Summary

IMPPAT Phytochemical identifier: IMPHY007184

Phytochemical name: Dehydronuciferine

Synonymous chemical names:
dehydronuciferine

External chemical identifiers:
CID:821347, ChEMBL:CHEMBL2316501, ChEBI:174097, ZINC:ZINC000000338143, MolPort-046-426-924

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Chemical structure information

SMILES:
COc1c(OC)cc2c3c1c1ccccc1cc3N(CC2)C

InChI:
InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3

InChIKey:
JBGSWIBJAGBGOP-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6cccccc6cc%10NCC%14))C

Functional groups:
cN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)cc1c3c(cccc32)CCN1

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.674

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Chemical structure download