Summary

IMPPAT Phytochemical identifier: IMPHY009348

Phytochemical name: Pyrrolizidine

Synonymous chemical names:
pyrrolizidine

External chemical identifiers:
CID:12558, ChEBI:64950, ZINC:ZINC000001581211, FDASRS:U81KWZ2JKN, SureChEMBL:SCHEMBL35282

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Chemical structure information

SMILES:
C1CN2C(C1)CCC2

InChI:
InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2

InChIKey:
ADRDEXBBJTUCND-UHFFFAOYSA-N

DeepSMILES:
CCNCC5)CCC5

Functional groups:
CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: -0.823

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Chemical structure download