Dihydrogenistein
Showing entry for Dihydrogenistein
Identification
- PhytoHub ID
- PHUB001366
- Name
- Dihydrogenistein
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 272.256
- Monoisotopic Mass
- 272.068473486
- Chemical Formula
- C15H12O5
- IUPAC Name
- 5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- UQGVUYNHDKMLSE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
- SMILES
OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O
- Structure
Structure for Dihydrogenistein
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 71.67650000000002
- Polarizability
- 26.587664373107295
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.91625021070632
- pKa (strongest acidic)
- 7.841130759303693
- 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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Genistin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
| Genistein | 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 | |||
|---|---|---|---|---|---|
| Genistein | Chickpea | Pulses and beans | Show | ||
| Genistein | Red clover | Pulses and beans | Publications | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Genistin | Dihydrogenistein | human | plasma, urine | gut microbiota metabolite | 8h-12h | 50-200 nmol/L | Not Available | C15H12O5 | 272.068473486 | Publications | |||
| Genistein | Dihydrogenistein | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C15H12O5 | 272.068473486 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Genistin | Dihydrogenistein | Microbiota | Effect, clusters | Publications |