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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:10:30 UTC
Update Date2022-03-07 02:55:33 UTC
HMDB IDHMDB0037917
Secondary Accession Numbers
  • HMDB37917
Metabolite Identification
Common Name2',5-Dihydroxy-4',7-dimethoxyisoflavone
Description2',5-Dihydroxy-4',7-dimethoxyisoflavone belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. 2',5-Dihydroxy-4',7-dimethoxyisoflavone has been detected, but not quantified in, pulses. This could make 2',5-dihydroxy-4',7-dimethoxyisoflavone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2',5-Dihydroxy-4',7-dimethoxyisoflavone.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC17H14O6
Average Molecular Weight314.2895
Monoisotopic Molecular Weight314.07903818
IUPAC Name5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one
Traditional Name5-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
CAS Registry Number61020-69-7
SMILES
COC1=CC(O)=C(C=C1)C1=COC2=C(C(O)=CC(OC)=C2)C1=O
InChI Identifier
InChI=1S/C17H14O6/c1-21-9-3-4-11(13(18)5-9)12-8-23-15-7-10(22-2)6-14(19)16(15)17(12)20/h3-8,18-19H,1-2H3
InChI KeyFFQUCBRHHMKGND-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassO-methylated isoflavonoids
Direct Parent7-O-methylisoflavones
Alternative Parents
Substituents
  • 4p-o-methylisoflavone
  • 7-o-methylisoflavone
  • Isoflavone
  • Hydroxyisoflavonoid
  • Chromone
  • 1-benzopyran
  • Methoxyphenol
  • Benzopyran
  • Phenol ether
  • Methoxybenzene
  • Phenoxy compound
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Ether
  • Organoheterocyclic compound
  • Oxacycle
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
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 IDFDB017074
KNApSAcK IDNot Available
Chemspider ID30777218
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53796934
PDB IDNot Available
ChEBI ID175019
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.. .