Summary

IMPPAT Phytochemical identifier: IMPHY012616

Phytochemical name: p-Menth-1(7)-en-2-one

Synonymous chemical names:
p-menth-1(7)-en-2-one

External chemical identifiers:
CID:557612

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Chemical structure information

SMILES:
CC(C1CCC(=C)C(=O)C1)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h7,9H,3-6H2,1-2H3

InChIKey:
QIHBCMQXRORFNY-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)C=O)C6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1=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 Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.151

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Chemical structure download