Summary

IMPPAT Phytochemical identifier: IMPHY003690

Phytochemical name: N-Nornuciferine

Synonymous chemical names:
n-nornuciferine, nornuciferine, n-, nuciferine, n-nor

External chemical identifiers:
CID:12313579, ChEMBL:CHEMBL1164391, ZINC:ZINC000029321809, MolPort-044-723-196

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Chemical structure information

SMILES:
COc1cc2CCN[C@H]3c2c(-c2ccccc2C3)c1OC

InChI:
InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m1/s1

InChIKey:
QQKAHDMMPBQDAC-CQSZACIVSA-N

DeepSMILES:
COcccCCN[C@H]c6c-cccccc6C%10)))))))c%10OC

Functional groups:
CNC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

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, Isoquinoline alkaloids

NP-Likeness score: 1.432

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Chemical structure download