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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:15:50 UTC
Update Date2022-03-07 02:54:49 UTC
HMDB IDHMDB0036205
Secondary Accession Numbers
  • HMDB36205
Metabolite Identification
Common Namealpha-Amylcinnamyl isovalerate
Descriptionalpha-Amylcinnamyl isovalerate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on alpha-Amylcinnamyl isovalerate.
Structure
Thumb
Synonyms
ValueSource
a-Amylcinnamyl isovalerateGenerator
a-Amylcinnamyl isovaleric acidGenerator
alpha-Amylcinnamyl isovaleric acidGenerator
Α-amylcinnamyl isovalerateGenerator
Α-amylcinnamyl isovaleric acidGenerator
2-(Phenylmethylene)heptyl 3-methylbutanoateHMDB
2-Benzylidene-1-heptyl isovalerateHMDB
2-Benzylideneheptyl isovalerateHMDB
alpha-Amyl-beta-phenylacryl 3-methylbutanoateHMDB
alpha-Amylcinnamyl isovalerianateHMDB
alpha-Pentylcinnamyl isovalerateHMDB
Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl esterHMDB
FEMA 2067HMDB
Isovaleric acid, beta-pentylcinnamyl esterHMDB
(2Z)-2-(Phenylmethylidene)heptyl 3-methylbutanoic acidGenerator
Chemical FormulaC19H28O2
Average Molecular Weight288.4244
Monoisotopic Molecular Weight288.20893014
IUPAC Name(2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate
Traditional Name(2Z)-2-(phenylmethylidene)heptyl 3-methylbutanoate
CAS Registry Number7493-80-3
SMILES
CCCCC\C(COC(=O)CC(C)C)=C\C1=CC=CC=C1
InChI Identifier
InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-
InChI KeyRNKTVAMGERKTEZ-JXAWBTAJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
Substituents
  • Fatty acid ester
  • Benzenoid
  • Monocyclic benzene moiety
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
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
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB015063
KNApSAcK IDNot Available
Chemspider ID4940527
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6435835
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 References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .