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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:15 UTC
Update Date2022-03-07 02:53:29 UTC
HMDB IDHMDB0032847
Secondary Accession Numbers
  • HMDB32847
Metabolite Identification
Common Name1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene
Description1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene, also known as 4,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol), belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene has been detected, but not quantified in, fats and oils. This could make 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene.
Structure
Thumb
Synonyms
ValueSource
4,4'-(Z)-Ethene-1,2-diylbis(2-methoxyphenol)ChEBI
4,4'-Dihydroxy-3,3'-dimethoxystilbeneHMDB
Chemical FormulaC16H16O4
Average Molecular Weight272.2958
Monoisotopic Molecular Weight272.104859
IUPAC Name4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Traditional Name4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
CAS Registry Number7329-69-3
SMILES
COC1=C(O)C=CC(\C=C/C2=CC(OC)=C(O)C=C2)=C1
InChI Identifier
InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3-
InChI KeyKQPXJFAYGYIGRU-ARJAWSKDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassStilbenes
Sub ClassNot Available
Direct ParentStilbenes
Alternative Parents
Substituents
  • Stilbene
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Phenol ether
  • Methoxybenzene
  • Styrene
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Ether
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point212 - 215 °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 IDFDB010824
KNApSAcK IDC00055352
Chemspider ID7827685
KEGG Compound IDC04547
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9548762
PDB IDNot Available
ChEBI ID36391
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.. .