Summary

IMPPAT Phytochemical identifier: IMPHY016772

Phytochemical name: Nepetalactam

Synonymous chemical names:
nepetalactam

External chemical identifiers:
CID:14133657, ChEBI:173445

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Chemical structure information

SMILES:
CC1CCC2C1C(=O)NC=C2C

InChI:
InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12)

InChIKey:
UFGRADREDASLJW-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5C=O)NC=C6C

Functional groups:
CC1=CNC(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC=CC2CCCC12

Scaffold Graph/Node level:
OC1NCCC2CCCC21

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 1.525

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Chemical structure download