Summary

IMPPAT Phytochemical identifier: IMPHY008983

Phytochemical name: Pareirine

Synonymous chemical names:
pareirine

Chemical structure information

SMILES:
CCC1CN2CCC34C2CC1C(CO)C3Nc1c4cccc1

InChI:
InChI=1S/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3

InChIKey:
FAQGZHFLASTWAV-UHFFFAOYSA-N

DeepSMILES:
CCCCNCCCC5CC9CCO))C6Ncc9cccc6

Functional groups:
CN(C)C, CO, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC1CC3CCN4CCC21C4C3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC3CCN4CCC12C4C3

Scaffold Graph level:
C1CCC2C(C1)CC1CC3CCC4CCC12C4C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.42

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Chemical structure download