Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:03:40 UTC
Update Date2022-03-07 02:55:06 UTC
HMDB IDHMDB0036879
Secondary Accession Numbers
  • HMDB36879
Metabolite Identification
Common Name1,2:3,4-Diepoxy-p-menth-8-ene
Description1,2:3,4-Diepoxy-p-menth-8-ene belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,2:3,4-Diepoxy-p-menth-8-ene has been detected, but not quantified in, herbs and spices and parsleys (Petroselinum crispum). This could make 1,2:3,4-diepoxy-p-menth-8-ene a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 1,2:3,4-Diepoxy-p-menth-8-ene.
Structure
Thumb
Synonyms
ValueSource
1,2:3,4-Bisepoxy-P-menth-8-eneHMDB
Chemical FormulaC10H14O2
Average Molecular Weight166.217
Monoisotopic Molecular Weight166.099379692
IUPAC Name4-methyl-7-(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.0²,⁴]octane
Traditional Name4-methyl-7-(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.0²,⁴]octane
CAS Registry Number120749-18-0
SMILES
CC(=C)C12CCC3(C)OC3C1O2
InChI Identifier
InChI=1S/C10H14O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h7-8H,1,4-5H2,2-3H3
InChI KeyCJWLGOWMMDDXLV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxepanes
Sub ClassNot Available
Direct ParentOxepanes
Alternative Parents
Substituents
  • Oxepane
  • Oxacycle
  • Ether
  • Oxirane
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot 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
  • Membrane
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 IDFDB015837
KNApSAcK IDC00010812
Chemspider ID35014292
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14414154
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1636811
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.. .