Showing metabocard for Gamma-terpinene (BMDB0005806)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:18:47 UTC
Update Date2020-04-22 15:16:24 UTC
BMDB IDBMDB0005806
Secondary Accession Numbers
  • BMDB05806
Metabolite Identification
Common NameGamma-terpinene
Descriptiongamma-Terpinene, also known as 1,4-p-menthadiene or crithmene, belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Thus, gamma-terpinene is considered to be an isoprenoid. gamma-Terpinene exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review a significant number of articles have been published on gamma-Terpinene.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1,4-p-MenthadieneChEBI
1-Isopropyl-4-methyl-1,4-cyclohexadieneChEBI
1-Isopropyl-4-methylcyclohexa-1,4-dieneChEBI
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadieneChEBI
1-Methyl-4-propan-2-ylcyclohexa-1,4-dieneChEBI
4-Isopropyl-1-methyl-1,4-cyclohexadieneChEBI
CrithmeneChEBI
MosleneChEBI
p-Mentha-1,4-dieneChEBI
g-TerpineneGenerator
Γ-terpineneGenerator
1-Methyl-4-(propan-2-yl)cyclohexa-1,4-dieneHMDB
alpha TerpineneHMDB
gamma TerpineneHMDB
gamma-TerpinenHMDB
TerpineneHMDB
1-Methyl-4-isopropyl-1,4-cyclohexadienePhytoBank
gamma-TerpinenePhytoBank
γ-TerpinenPhytoBank
Chemical FormulaC10H16
Average Molecular Weight136.238
Monoisotopic Molecular Weight136.125200515
IUPAC Name1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Traditional Nameα terpinene
CAS Registry Number99-85-4
SMILES
CC(C)C1=CCC(C)=CC1
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
InChI KeyYKFLAYDHMOASIY-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassBranched unsaturated hydrocarbons
Direct ParentBranched unsaturated hydrocarbons
Alternative Parents
Substituents
  • Branched unsaturated hydrocarbon
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Membrane
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-10 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.00868 mg/mL at 22 °CNot Available
LogP4.5LI,J & PERDUE,EM (1995)
Predicted Properties
PropertyValueSource
logP4.36ALOGPS
logP3.16ChemAxon
logS-2.4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity47.55 m³·mol⁻¹ChemAxon
Polarizability17.61 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cell membrane
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0005806
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015968
KNApSAcK IDC00003061
Chemspider ID7181
KEGG Compound IDC09900
BioCyc IDCPD-8736
BiGG IDNot Available
Wikipedia LinkTerpinene
METLIN IDNot Available
PubChem Compound7461
PDB IDNot Available
ChEBI ID10577
References
Synthesis ReferenceRichter, Friedrich; Wolff, Werner; Presting, W. g-Terpinene. II. Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1930), 63B 1714-21. CODEN: BDCBAD ISSN:0365-9488. CAN 24:46537 AN 1930:46537
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available