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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 04:25:56 UTC
Update Date2021-09-24 04:25:56 UTC
HMDB IDHMDB0303761
Secondary Accession NumbersNone
Metabolite Identification
Common Namegamma-Eudesmol
DescriptionGamma-eudesmol, also known as gamma-eudesmol, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Gamma-eudesmol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Gamma-eudesmol is a sweet and waxy tasting compound and can be found in a number of food items such as rosemary, ginkgo nuts, mango, and common thyme, which makes gamma-eudesmol a potential biomarker for the consumption of these food products.
Structure
Thumb
Synonyms
ValueSource
g-EudesmolGenerator
Γ-eudesmolGenerator
Chemical FormulaC15H26O
Average Molecular Weight222.3663
Monoisotopic Molecular Weight222.198365454
IUPAC Name2-(4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2-ol
Traditional Name2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol
CAS Registry NumberNot Available
SMILES
CC1=C2CC(CCC2(C)CCC1)C(C)(C)O
InChI Identifier
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3
InChI KeyWMOPMQRJLLIEJV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentEudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Alternative Parents
Substituents
  • Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
  • Tertiary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
RoleNot Available
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

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 10V, Positive-QTOFsplash10-074i-0970000000-cce91b87da4a67f37aed2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 20V, Positive-QTOFsplash10-00di-4950000000-63861422343ea0042e162021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 40V, Positive-QTOFsplash10-052f-9400000000-d0b907e53a3f4f6bf47f2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 10V, Negative-QTOFsplash10-00di-0190000000-1f14e0b4d6044a2c9a5a2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 20V, Negative-QTOFsplash10-00di-0090000000-53569f104e9696751c142021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Eudesmol 40V, Negative-QTOFsplash10-00di-0190000000-bc96e560dd7b9fcd73972021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB020791
KNApSAcK IDNot Available
Chemspider ID452401
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound518516
PDB IDNot Available
ChEBI IDNot Available
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 ReferencesNot Available