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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:28:24 UTC
Update Date2022-03-07 02:54:31 UTC
HMDB IDHMDB0035478
Secondary Accession Numbers
  • HMDB35478
Metabolite Identification
Common Name2',3,4',5-Tetrahydroxy-4-prenylstilbene
Description2',3,4',5-Tetrahydroxy-4-prenylstilbene 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. 2',3,4',5-Tetrahydroxy-4-prenylstilbene has been detected, but not quantified in, fruits. This could make 2',3,4',5-tetrahydroxy-4-prenylstilbene a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2',3,4',5-Tetrahydroxy-4-prenylstilbene.
Structure
Data?1563862726
SynonymsNot Available
Chemical FormulaC19H20O4
Average Molecular Weight312.3597
Monoisotopic Molecular Weight312.136159128
IUPAC Name5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
Traditional Name4'-prenyloxyresveratrol
CAS Registry Number69065-16-3
SMILES
CC(C)=CCC1=C(O)C=C(\C=C\C2=C(O)C=C(O)C=C2)C=C1O
InChI Identifier
InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+
InChI KeyFEHGVKWVMWWVQZ-SNAWJCMRSA-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
  • Styrene
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • 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 Point196 - 197 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2.31 mg/L @ 25 °C (est)The Good Scents Company Information System
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 IDFDB014164
KNApSAcK IDC00002900
Chemspider ID4445039
KEGG Compound IDC10283
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5281724
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1850061
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.. .