Summary

IMPPAT Phytochemical identifier: IMPHY012031

Phytochemical name: l-Menthol

Synonymous chemical names:
(-)-menthol, l-(-)-menthol

External chemical identifiers:
CID:16666, ChEMBL:CHEMBL470670, ChEBI:15409, ZINC:ZINC000001482164, FDASRS:YS08XHA860, SureChEMBL:SCHEMBL4613, MolPort-001-793-392

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Chemical structure information

SMILES:
C[C@@H]1CC[C@H]([C@@H](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/t8-,9+,10-/m1/s1

InChIKey:
NOOLISFMXDJSKH-KXUCPTDWSA-N

DeepSMILES:
C[C@@H]CC[C@H][C@@H]C6)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