Showing Compound Card for Norphytene (CDB006078)

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Record Information
Version1.0
Created at2020-04-27 17:27:10 UTC
Updated at2021-01-06 19:07:02 UTC
CannabisDB IDCDB006078
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameNorphytene
DescriptionNorphytene, also known as 2,6,10,14-Tetramethylpentadecene, belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. 2,6,10,14-Tetramethylpentadecene is possibly neutral. 2,6,10,14-tetramethylpentadecene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ).
Structure
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MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC19H38
Average Molecular Weight266.51
Monoisotopic Molecular Weight266.2974
IUPAC Name2,6,10,14-tetramethylpentadec-1-ene
Traditional Name2,6,10,14-tetramethylpentadec-1-ene
CAS Registry Number60976-73-0
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)=C
InChI Identifier
InChI=1S/C19H38/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h17-19H,1,7-15H2,2-6H3
InChI KeyRNTRDTWDTOZSEV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentSesquiterpenoids
Alternative Parents
Substituents
  • Farsesane sesquiterpenoid
  • Sesquiterpenoid
  • Branched unsaturated hydrocarbon
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Hydrocarbon
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP8.34ALOGPS
logP7.93ChemAxon
logS-7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity88.79 m³·mol⁻¹ChemAxon
Polarizability37.4 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11023721
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available