metabolite

Showing entry for Dihydrodaidzein

Identification

PhytoHub ID
PHUB001356
Name
Dihydrodaidzein
Systematic Name
Not Available
Synonyms
  • 7,4'-dihydroxyisoflavanone
CAS Number
Not Available
Average Mass
256.257
Monoisotopic Mass
256.073558866
Chemical Formula
C15H12O4
IUPAC Name
7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
JHYXBPPMXZIHKG-UHFFFAOYNA-N
InChI Identifier
InChI=1/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2
SMILES
OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.35e-01 g/l
LogS (ALOGPS)
-3.28
LogP (ALOGPS)
2.77
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.76
Refractivity
69.69560000000001
Polarizability
25.76143011613891
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.906004166215412
pKa (strongest acidic)
7.775319556174
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
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
DaidzeinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
DaidzeinSoy beanSoy and soy productsShow
DaidzeinSoy milkSoy and soy productsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Daidzein Dihydrodaidzeinhumanurinehost metabolismNot AvailableNot AvailableNot AvailableC15H12O4256.073558866 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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