Summary

IMPPAT Phytochemical identifier: IMPHY016960

Phytochemical name: 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-

Synonymous chemical names:
p-menth-4-en-3-one

External chemical identifiers:
CID:107372, SureChEMBL:SCHEMBL6360973

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Chemical structure information

SMILES:
CC1CC=C(C(=O)C1)C(C)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h5,7-8H,4,6H2,1-3H3

InChIKey:
OAYBZGPDRAMDNF-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC=O)C6))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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 Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.863

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Chemical structure download