Summary

IMPPAT Phytochemical identifier: IMPHY012035

Phytochemical name: Anabasine

Synonymous chemical names:
anabasine

External chemical identifiers:
CID:2181, ChEMBL:CHEMBL280963, ChEBI:28986, SureChEMBL:SCHEMBL117530, MolPort-000-145-770

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Chemical structure information

SMILES:
C1CCC(NC1)c1cccnc1

InChI:
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2

InChIKey:
MTXSIJUGVMTTMU-UHFFFAOYSA-N

DeepSMILES:
CCCCNC6))ccccnc6

Functional groups:
CNC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cncc(C2CCCCN2)c1

Scaffold Graph/Node level:
C1CCC(C2CCCNC2)NC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Nicotinic acid alkaloids

NP Classifier Class: Piperidine alkaloids, Pyridine alkaloids

NP-Likeness score: -0.086

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Chemical structure download