Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000658

Phytochemical name: alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol

Synonymous chemical names:
alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol, 6-terpineoi, terpineol, delta, 𝛿-terpineol, δ-terpineol, delta-terpineol

External chemical identifiers:
CID:CID_81722, ChEBI:CHEBI:167334, ZINC:ZINC000005439913, SureChEMBL:SCHEMBL10779826, MolPort-006-118-614

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h9,11H,1,4-7H2,2-3H3

InChIKey:
SQIFACVGCPWBQZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)CC6))))))O)C

Functional groups:
CO, 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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.071

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Chemical structure download