Dihydrodaidzein
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-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/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
Structure for Dihydrodaidzein
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 Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Daidzein | Red clover | Pulses and beans | Publications | Show | |
| 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 |