metabolite

Showing entry for Dihydroformononetin

Identification

PhytoHub ID
PHUB001364
Name
Dihydroformononetin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
270.284
Monoisotopic Mass
270.089208931
Chemical Formula
C16H14O4
IUPAC Name
7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
INYISIYHXQDCPK-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
SMILES
COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.44e-02 g/l
LogS (ALOGPS)
-3.51
LogP (ALOGPS)
3.01
Hydrogen Acceptors
4
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
55.760000000000005
Refractivity
74.1779
Polarizability
27.789397238488732
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.562453771107251
pKa (strongest acidic)
7.783726898189255
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Flavonoid metabolites
Sub-class
Isoflavones (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
FormononetinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
FormononetinChickpeaPulses and beansShow
FormononetinRed cloverPulses and beans PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Formononetin Dihydroformononetinhumanplasma, urinegut microbiota metabolite12h-24h50-200 nmol/LNot AvailableC16H14O4270.089208931 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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