Record Information
Version1.0
Creation date2018-05-02 12:30:15 UTC
Update date2018-05-04 14:23:04 UTC
FoodComEx IDPC001194
FoodDB RecordFDB000698
Chemical Information
NameGlycitein
DescriptionIsoflavone present in soya foods (inc. tofu, miso); potential nutriceutical [DFC]. Glycitein is a biomarker for the consumption of soy beans and other soy products. Glycitein is found in many foods, some of which are miso, soy bean, soy milk, and soy sauce.
CAS Number40957-83-3
Structure
Thumb
Synonyms
SynonymSource
4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-onebiospider
4,7-Dihydroxy-6-methoxyisoflavonebiospider
4',7-Dihydroxy-6-methoxyisoflavonedb_source
6-Methoxydaidzeinmanual
7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-oneChEBI
7,4'-Dihydroxy-6-methoxyisoflavonebiospider
Glyciteindb_source
Chemical FormulaC16H12O5
IUPAC name7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
InChI IdentifierInChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChI KeyDXYUAIFZCFRPTH-UHFFFAOYSA-N
Isomeric SMILESCOC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1
Average Molecular Weight284.267
Monoisotopic Molecular Weight284.068473486
Chemical Taxonomy
Description belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflav-2-enes
Direct ParentIsoflavones
Alternative Parents
Substituents
  • Hydroxyisoflavonoid
  • Isoflavone
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Oxacycle
  • Ether
  • Organoheterocyclic compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 337-339° (311-313°)DFC
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
Cayman Chemical 14162
Toronto Research Chemicals G635400