3'-hydroxy-genistein
Showing entry for 3'-hydroxy-genistein
Identification
- PhytoHub ID
- PHUB002598
- Name
- 3'-hydroxy-genistein
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 286.239
- Monoisotopic Mass
- 286.047738042
- Chemical Formula
- C15H10O6
- IUPAC Name
- 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
- InChI Key
- IOYHCQBYQJQBSK-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
- SMILES
OC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1
- Structure
Structure for 3'-hydroxy-genistein
Calculated Properties
- Solubility (ALOGPS)
- 1.40e-01 g/l
- LogS (ALOGPS)
- -3.31
- LogP (ALOGPS)
- 2.64
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 1
- Polar Surface Area
- 107.22
- Refractivity
- 73.6638
- Polarizability
- 27.484495451850595
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.345712117805731
- pKa (strongest acidic)
- 6.544300500099932
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Isoflavones (parent, host and microbial metabolites)
Taxonomy of its Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Genistein | Polyphenols | Flavonoids | Isoflavones | Show Precursor |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
No food source information available of its precursor(s)
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Genistein | 3'-hydroxy-genistein | human | liver, urine | host metabolism | Not Available | Not Available | Not Available | C15H10O6 | 286.047738042 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Genistein | 3'-hydroxy-genistein | BMI | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Smoking | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Ethnicity | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Genotype | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Microbiota | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Sex | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Age | Not studied | |||
| Genistein | 3'-hydroxy-genistein | Health-Status | Not studied |