PhytoHub: Showing entry for Dihydrodaidzein

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

External Links

ChEBI: 75842
PubChem: 176907
MetaboLights: MTBLC75842
Phenol-Explorer: 861
Exposome Explorer: 18

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 Phytochemical	Family	Class	Sub-class
Daidzein	Polyphenols	Flavonoids	Isoflavones	Show 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 Phytochemical	Food Source	Food Source Group
	Daidzein	Soy bean	Soy and soy products		Show
	Daidzein	Soy milk	Soy and soy products		Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Daidzein		Dihydrodaidzein	human	plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	Not Available	C₁₅H₁₂O₄	256.073558866		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Daidzein		Dihydrodaidzein	Microbiota	Effect, clusters	Publications

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Showing entry for Dihydrodaidzein