Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009565

Phytochemical name: 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-

Synonymous chemical names:
p-menth-8-ene-1,2-diol

External chemical identifiers:
CID:CID_94217, ChEBI:CHEBI:17219, SureChEMBL:SCHEMBL131198

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3

InChIKey:
WKZWTZTZWGWEGE-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCCC6)O))C)O

Functional groups:
CO, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

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: 3.163

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Chemical structure download