Summary

IMPPAT Phytochemical identifier: IMPHY013815

Phytochemical name: 1-Methylene-4-(1-methylvinyl)cyclohexane

Synonymous chemical names:
p-mentha-1 (7),8-diene, p-mentha-1(7), 8 diene, p-mentha-1(7),8-diene, p-mentha-1(7)8-diene, p-mentha-1,7(8)-diene (= pseudolimonene), p-mentha-1,7(8)-diene (=pseudolimonene), p-mentha-1,7(8)-diene(=pseudolimonene), pseudolimonene, psi-limonene

External chemical identifiers:
CID:68140, SureChEMBL:SCHEMBL8962209

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Chemical structure information

SMILES:
C=C1CCC(CC1)C(=C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3

InChIKey:
GOQRXDTWKVYHJH-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6))C=C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

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: Monocyclic monoterpenoids

NP-Likeness score: 2.109

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Chemical structure download