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Formononetin (PC001192)

Record Information
Version1.0
Creation date2018-05-02 12:29:09 UTC
Update date2018-05-04 14:23:14 UTC
FoodComEx IDPC001192
FoodDB RecordFDB012219
Chemical Information
NameFormononetin
DescriptionWidespread isoflavone found in soy beans (Glycine max), red clover (Trifolium pratense and chick peas (Cicer arietinum). Potential nutriceutical Formononetin are abundant in vegetables. It is a phyto-oestrogen that is a polyphenolic non-steroidal plant compound with oestrogen-like biological activity (PMID: 16108819). It can be the source of considerable estrogenic activity (http://www.herbalchem.net/Intermediate.htm).
CAS Number485-72-3
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
4'-O-Methyldaidzeinbiospider
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-biospider
7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyronebiospider
7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CIdb_source
7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-onebiospider
7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9ci)HMDB
7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-onebiospider
7-Hydroxy-3-(4-methoxyphenyl)chromonebiospider
7-Hydroxy-4'-methoxy-isoflavoneHMDB
7-Hydroxy-4'-methoxy-isoflavone (8ci)HMDB
7-Hydroxy-4'-methoxyisoflavonedb_source
Biochanin Bdb_source
Daidzein 4-methyl etherbiospider
Formononetindb_source
Formononetolbiospider
Formoononetindb_source
Neochanindb_source
Pratoldb_source
Chemical FormulaC16H12O4
IUPAC name7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI IdentifierInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChI KeyHKQYGTCOTHHOMP-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O
Average Molecular Weight268.268
Monoisotopic Molecular Weight268.073558866
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassO-methylated isoflavonoids
Direct Parent4'-O-methylisoflavones
Alternative Parents
Substituents
  • 4p-o-methylisoflavone
  • Hydroxyisoflavonoid
  • Isoflavone
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 265-266° (257-258°)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
AKSci C447
AKSci J40206
AKSci J91117
AKSci HMDB0005808
Cayman Chemical 17558
MetaSci HMDB0005808
Toronto Research Chemicals F693200