Summary

IMPPAT Phytochemical identifier: IMPHY009363

Phytochemical name: Anahygrine

Synonymous chemical names:
anahygrine

External chemical identifiers:
CID:12306778

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Chemical structure information

SMILES:
O=C(CC1CCCN1C)CC1CCCCN1

InChI:
InChI=1S/C13H24N2O/c1-15-8-4-6-12(15)10-13(16)9-11-5-2-3-7-14-11/h11-12,14H,2-10H2,1H3

InChIKey:
FONWOVFPQFNSTJ-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCN5C)))))))CCCCCCN6

Functional groups:
CC(C)=O, CN(C)C, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCCCN1)CC1CCCN1

Scaffold Graph/Node level:
OC(CC1CCCCN1)CC1CCCN1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCCC1

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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

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.662

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Chemical structure download