Record Information
Version1.0
Creation date2015-10-09 22:29:45 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000301
FoodDB RecordFDB000317
Chemical Information
NameHomoveratric acid
DescriptionHomoveratric acid is the main metabolite of 3,4-dimethoxyphenylethylamine (DMPEA) in urine. It has been suggested that DMPEA and other amines are in higher concentrations in drug-free schizophrenics than in normal subjects. DMPEA is a the di-methylated metabolite of L-DOPA, the major treatment for Parkinson's disease (PD). (PMID 7059639, 14311254, 588645, 10834300). Homoveratric acid is found in olive.
CAS Number93-40-3
Structure
Thumb
Synonyms
SynonymSource
(3,4-Dimethoxyphenyl)acetatebiospider
(3,4-Dimethoxyphenyl)acetic acidbiospider
3, 4-(Dimethoxyphenyl) acetic acidbiospider
3,4-(Dimethoxy)benzeneacetic acidbiospider
3,4-(Dimethoxyphenyl) acetic acidbiospider
3,4-Dimethoxybenzeneacetatebiospider
3,4-Dimethoxybenzeneacetic aciddb_source
3,4-dimethoxyphenyl Acetic Acidbiospider
3,4-Dimethoxyphenylacetatebiospider
3,4-Dimethoxyphenylacetic aciddb_source
Acetic acid, (3, 4-dimethoxyphenyl)-biospider
Acetic acid, (3,4-dimethoxyphenyl)-biospider
Benzeneacetic acid, 3,4-dimethoxy-biospider
Homoveratratebiospider
Chemical FormulaC10H12O4
IUPAC name2-(3,4-dimethoxyphenyl)acetic acid
InChI IdentifierInChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI KeyWUAXWQRULBZETB-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=C(CC(O)=O)C=C1OC
Average Molecular Weight196.1999
Monoisotopic Molecular Weight196.073558872
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassMethoxybenzenes
Direct ParentDimethoxybenzenes
Alternative Parents
Substituents
  • O-dimethoxybenzene
  • Dimethoxybenzene
  • Phenoxy compound
  • Anisole
  • Phenol ether
  • Alkyl aryl ether
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Ether
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting Point96 oC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci A081
AKSci J92500
MetaSci HMDB0000434
Sigma-Aldrich HMDB0000434
Toronto Research Chemicals H669520