Record Information
Version1.0
Creation date2010-04-08 22:11:45 UTC
Update date2019-11-26 03:11:23 UTC
Primary IDFDB015294
Secondary Accession NumbersNot Available
Chemical Information
FooDB Namealpha-Cubebene
DescriptionConstituent of oil of cubeb pepper (Piper cubeba). alpha-Cubebene is found in many foods, some of which are parsley, ginger, nutmeg, and lemon balm.
CAS Number17699-14-8
Structure
Thumb
Synonyms
SynonymSource
(-)-α-cubebenebiospider
(-)-alpha-CubebeneHMDB
α-cubebenbiospider
α-cubebenebiospider
α-cubenenebiospider
a-Cubebenedb_source
alpha-CubebenHMDB
alpha-Cubebenebiospider
alpha-CubeneneHMDB
Predicted PropertiesNot Available
Chemical FormulaC15H24
IUPAC name
InChI IdentifierInChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
InChI KeyXUEHVOLRMXNRKQ-UHFFFAOYSA-N
Isomeric SMILESCC(C)C1CCC(C)C23CC=C(C)C2C13
Average Molecular Weight204.3511
Monoisotopic Molecular Weight204.187800768
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 88.16%; H 11.84%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]30D -20 (CHCl3)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID78116
ChEMBL IDNot Available
KEGG Compound IDC09647
Pubchem Compound ID86609
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB36413
CRC / DFC (Dictionary of Food Compounds) IDJZH20-A:JZH21-B
EAFUS IDNot Available
Dr. Duke IDCUBEBENE|ALPHA-CUBEBENE
BIGG IDNot Available
KNApSAcK IDC00003120
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID17699-14-8
GoodScent IDrw1054531
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
herb
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
wax
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
herbal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
waxy
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).