Record Information
Version1.0
Creation date2018-05-02 11:46:12 UTC
Update date2018-05-04 14:26:51 UTC
FoodComEx IDPC001157
FoodDB RecordFDB000316
Chemical Information
Name3,4-Dihydroxyphenylacetic acid
Description3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine. 3,4-Dihydroxyphenylacetic acid is found in many foods, some of which are alaska blueberry, cauliflower, ucuhuba, and fox grape.
CAS Number102-32-9
Structure
Thumb
Synonyms
SynonymSource
(3,4-Dihydroxyphenyl)-acetic acidHMDB
(3,4-Dihydroxyphenyl)acetatebiospider
(3,4-Dihydroxyphenyl)acetic acidbiospider
2-(3,4-DIHYDROXYPHENYL)acetateGenerator
2-(3,4-DIHYDROXYPHENYL)acetIC ACIDChEBI
3,4-DHPOPHMDB
3,4-Dihydroxy-benzene acetic acidbiospider
3,4-Dihydroxy-benzeneacetic acidHMDB
3,4-Dihydroxy-phenylacetic acidbiospider
3,4-Dihydroxybenzene acetatebiospider
3,4-Dihydroxybenzene acetic acidbiospider
3,4-DihydroxybenzeneacetateHMDB
3,4-Dihydroxyphenyl acetatebiospider
3,4-Dihydroxyphenyl acetic acidbiospider
3,4-Dihydroxyphenylacetatebiospider
DHYHMDB
DihydroxyphenylacetateHMDB
Dihydroxyphenylacetic acidHMDB
DOPACdb_source
Dopacetatebiospider
Dopacetic aciddb_source
HAAHMDB
Homogentisic acidHMDB
Homoprotocatechuatebiospider
Homoprotocatechuic aciddb_source
Chemical FormulaC8H8O4
IUPAC name2-(3,4-dihydroxyphenyl)acetic acid
InChI IdentifierInChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChI KeyCFFZDZCDUFSOFZ-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CC1=CC(O)=C(O)C=C1
Average Molecular Weight168.1467
Monoisotopic Molecular Weight168.042258744
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatechols
Alternative Parents
Substituents
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.98SANGSTER (1994)
Experimental Water SolubilityNot Available
Melting Point168
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci J10416
AKSci J92265
AKSci X8606
AKSci HMDB0001336
MetaSci HMDB0001336
Toronto Research Chemicals D454250