Summary

IMPPAT Phytochemical identifier: IMPHY014951

Phytochemical name: (+)-Isomenthol

Synonymous chemical names:
isomenthol

External chemical identifiers:
CID:45056, ChEMBL:CHEMBL1907990, ZINC:ZINC000003861695, FDASRS:RCZ2YJZ08S, SureChEMBL:SCHEMBL677675, MolPort-001-793-331

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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-BBBLOLIVSA-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