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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:03:23 UTC
Update Date2022-03-07 02:56:59 UTC
HMDB IDHMDB0041376
Secondary Accession Numbers
  • HMDB41376
Metabolite Identification
Common Nameexo,exo-1,8-Epoxy-p-menthane-2,6-diol
Descriptionexo,exo-1,8-Epoxy-p-menthane-2,6-diol, also known as 2,6-dihydroxycineol, belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. exo,exo-1,8-Epoxy-p-menthane-2,6-diol has been detected, but not quantified in, herbs and spices. This could make exo,exo-1,8-epoxy-p-menthane-2,6-diol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on exo,exo-1,8-Epoxy-p-menthane-2,6-diol.
Structure
Data?1563863656
Synonyms
ValueSource
2,6-DihydroxycineolKegg
1,8-Epoxy-P-menthane-2,6-diolHMDB
exo,exo-FormHMDB
ClesidrenMeSH, HMDB
1,8-Epoxy-1-methyl-4-isopropylcyclohexane-2,6-diolMeSH, HMDB
Chemical FormulaC10H18O3
Average Molecular Weight186.2481
Monoisotopic Molecular Weight186.125594442
IUPAC Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol
Traditional Nameepomediol
CAS Registry Number38223-98-2
SMILES
CC1(C)OC2(C)C(O)CC1CC2O
InChI Identifier
InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3
InChI KeyJSNQSLSBBZFGBM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxanes
Sub ClassNot Available
Direct ParentOxanes
Alternative Parents
Substituents
  • Oxane
  • Cyclic alcohol
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point164 - 165 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021306
KNApSAcK IDNot Available
Chemspider ID102967
KEGG Compound IDC17620
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound115056
PDB IDNot Available
ChEBI ID81225
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .