Summary

IMPPAT Phytochemical identifier: IMPHY009836

Phytochemical name: p-Menthane-3,8-diol

Synonymous chemical names:
p-menthane-3,8-diol

External chemical identifiers:
CID:556998, ChEBI:48250, FDASRS:6T6Z1Z1NC4, SureChEMBL:SCHEMBL80731, MolPort-006-128-808

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Chemical structure information

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

InChI:
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

InChIKey:
LMXFTMYMHGYJEI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)O))CO)C)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

NP-Likeness score: 1.962

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Chemical structure download