Summary

IMPPAT Phytochemical identifier: IMPHY003038

Phytochemical name: Nornicotine

Synonymous chemical names:
(+)-nornicotine, nor-nicotine, nornicotine

External chemical identifiers:
CID:412, ChEMBL:CHEMBL1132, SureChEMBL:SCHEMBL158145, MolPort-000-006-214

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Chemical structure information

SMILES:
C1CNC(C1)c1cccnc1

InChI:
InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2

InChIKey:
MYKUKUCHPMASKF-UHFFFAOYSA-N

DeepSMILES:
CCNCC5)ccccnc6

Functional groups:
CNC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cncc(C2CCCN2)c1

Scaffold Graph/Node level:
C1CNCC(C2CCCN2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Pyrrolidinylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids, Ornithine alkaloids

NP Classifier Class: Pyridine alkaloids, Pyrrolidine alkaloids

NP-Likeness score: -0.092

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Chemical structure download