Summary

IMPPAT Phytochemical identifier: IMPHY003296

Phytochemical name: Piperitenone

Synonymous chemical names:
(+)-piperitenone, piperitenone, pipéritenone

External chemical identifiers:
CID:381152, ChEMBL:CHEMBL54161, ChEBI:17304, ZINC:ZINC000018157343, FDASRS:IKR841W74D, SureChEMBL:SCHEMBL220677, MolPort-001-787-631

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Chemical structure information

SMILES:
CC1=CC(=O)C(=C(C)C)CC1

InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3

InChIKey:
HKZQJZIFODOLFR-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)C=CC)C))CC6

Functional groups:
CC1=CC(=O)C(=C(C)C)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC=CC1=O

Scaffold Graph/Node level:
CC1CCCCC1O

Scaffold Graph level:
CC1CCCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.154

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Chemical structure download