Summary

IMPPAT Phytochemical identifier: IMPHY014723

Phytochemical name: Cyclohexene, 1-methyl-4-(1-methylethyl)-

Synonymous chemical names:
1-p-menthene, carvomenthene, p-1-menthene, p-1-menthene (8,9-dihydrolimonene)

External chemical identifiers:
CID:21671, ChEBI:134312, FDASRS:RFR322M42W, SureChEMBL:SCHEMBL736990

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Chemical structure information

SMILES:
CC1=CCC(CC1)C(C)C

InChI:
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3

InChIKey:
FAMJUFMHYAFYNU-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CC)C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 2.273

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Chemical structure download