Summary

IMPPAT Phytochemical identifier: IMPHY004725

Phytochemical name: (-)-Anaferine

Synonymous chemical names:
(-)-anaferine

External chemical identifiers:
CID:443143, ChEBI:75, ZINC:ZINC000000896067

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Chemical structure information

SMILES:
O=C(C[C@H]1CCCCN1)C[C@H]1CCCCN1

InChI:
InChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m1/s1

InChIKey:
JFMCQBGTUJUOAB-VXGBXAGGSA-N

DeepSMILES:
O=CC[C@H]CCCCN6)))))))C[C@H]CCCCN6

Functional groups:
CC(C)=O, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCCCN1)CC1CCCCN1

Scaffold Graph/Node level:
OC(CC1CCCCN1)CC1CCCCN1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.566

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Chemical structure download