Record Information
Version1.0
Creation date2010-04-08 22:10:28 UTC
Update date2019-08-01 18:41:23 UTC
Primary IDFDB012989
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFarnesylacetone
Description6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one 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. Based on a literature review a significant number of articles have been published on 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one.
CAS Number762-29-8
Structure
Thumb
Synonyms
Predicted PropertiesNot Available
Chemical FormulaC18H30O
IUPAC name
InChI IdentifierInChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13+
InChI KeyLTUMRKDLVGQMJU-HSVQFRAPSA-N
Isomeric SMILESCC(C)=CCC\C(C)=C/CC\C(C)=C\CCC(C)=O
Average Molecular Weight262.4302
Monoisotopic Molecular Weight262.229665582
Classification
Description 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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentAcyclic diterpenoids
Alternative Parents
Substituents
  • Acyclic diterpenoid
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID1361471
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID1711944
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34495
CRC / DFC (Dictionary of Food Compounds) IDHNR56-L:HNR57-M
EAFUS IDNot Available
Dr. Duke IDFARNESYL-ACETONE
BIGG IDNot Available
KNApSAcK IDC00022163
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID1117-52-8
GoodScent IDrw1488991
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Garden tomatoExpected but not quantifiedNot AvailableDFC CODES
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Biological Effects and Interactions
Health Effects / Bioactivities
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
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).