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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:48:02 UTC
Update Date2022-03-07 02:53:15 UTC
HMDB IDHMDB0032130
Secondary Accession Numbers
  • HMDB32130
Metabolite Identification
Common Name3',4'-Dihydroxychalcone
Description3',4'-Dihydroxychalcone belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. Based on a literature review very few articles have been published on 3',4'-Dihydroxychalcone.
Structure
Thumb
Synonyms
ValueSource
1-(3,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one, 9ciHMDB
3,4-Dihydroxyphenyl styryl ketoneHMDB
Chemical FormulaC15H12O3
Average Molecular Weight240.254
Monoisotopic Molecular Weight240.07864425
IUPAC Name(2E)-1-(3,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
Traditional Name(2E)-1-(3,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CAS Registry Number88596-30-9
SMILES
OC1=C(O)C=C(C=C1)C(=O)\C=C\C1=CC=CC=C1
InChI Identifier
InChI=1S/C15H12O3/c16-13(8-6-11-4-2-1-3-5-11)12-7-9-14(17)15(18)10-12/h1-10,17-18H/b8-6+
InChI KeyWYUBYHGDUPOTPG-SOFGYWHQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
Sub ClassChalcones and dihydrochalcones
Direct ParentRetrochalcones
Alternative Parents
Substituents
  • Retrochalcone
  • Cinnamylphenol
  • Benzoyl
  • Catechol
  • Aryl ketone
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Acryloyl-group
  • Enone
  • Alpha,beta-unsaturated ketone
  • Ketone
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point187 °CNot 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 IDFDB008853
KNApSAcK IDNot Available
Chemspider ID8619716
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10444297
PDB IDNot Available
ChEBI ID168702
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.. .