Record Information
Version1.0
Creation date2010-04-08 22:10:03 UTC
Update date2019-11-26 03:06:25 UTC
Primary IDFDB012220
Secondary Accession Numbers
  • FDB031071
Chemical Information
FooDB NameFormononetin 7-glucoside
DescriptionWidely distributed in the Leguminosae subfamily Papilionoideae, e.g. in Medicago sativa (alfalfa) and Trifolium subspecies Formononetin 7-glucoside is found in chickpea, soy bean, and pulses.
CAS Number486-62-4
Structure
Thumb
Synonyms
SynonymSource
4'-Methoxyisoflavone-7-O-beta-D-glucopyranosideHMDB
Formononetin 7-glucosidemanual
Formononetin 7-O-beta-D-glucopyranosidebiospider
Formononetin 7-O-glucosidebiospider
Formononetin glucosideHMDB
Formononetin-7-glucosideHMDB
Formononetin-7-O-beta-D-glucopyranosideHMDB
Ononin?db_source
Ononosidedb_source
Predicted PropertiesNot Available
Chemical FormulaC22H22O9
IUPAC name
InChI IdentifierInChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3
InChI KeyMGJLSBDCWOSMHL-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C1=O
Average Molecular Weight430.4047
Monoisotopic Molecular Weight430.126382302
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 61.39%; H 5.15%; O 33.46%DFC
Melting PointMp 218-219°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV Data[neutral] lmax 250 () (MeOH) (Berdy)DFC
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID2963362
ChEMBL IDNot Available
KEGG Compound IDC10509
Pubchem Compound ID3733033
Pubchem Substance IDNot Available
ChEBI ID7775
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33987
CRC / DFC (Dictionary of Food Compounds) IDHFF84-G:HFF86-I
EAFUS IDNot Available
Dr. Duke IDONONIN|FORMONONETIN-7-O-GLUCOSIDE
BIGG IDNot Available
KNApSAcK IDC00002553
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
hemolyticDUKE
irritantDUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.