Summary

IMPPAT Phytochemical identifier: IMPHY015003

Phytochemical name: Menthol

Synonymous chemical names:
menthol, menthol1, menthon

External chemical identifiers:
CID:1254, ChEMBL:CHEMBL256087, ChEBI:25187, SureChEMBL:SCHEMBL4612, MolPort-000-849-729

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Chemical structure information

SMILES:
CC1CCC(C(C1)O)C(C)C

InChI:
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3

InChIKey:
NOOLISFMXDJSKH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)O))CC)C

Functional groups:
CO

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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: 1.864

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Chemical structure download