Summary

IMPPAT Phytochemical identifier: IMPHY011074

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

Synonymous chemical names:
3-p-menthene, 4-methyl-1-(1-methylethyl)-cyclohexene, menthene (3-p), p-menth-3-ene

External chemical identifiers:
CID:10369, ChEBI:88834, SureChEMBL:SCHEMBL4582309

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Chemical structure information

SMILES:
CC1CCC(=CC1)C(C)C

InChI:
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3

InChIKey:
YYCPSEFQLGXPCO-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC6))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: 1.86

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Chemical structure download