8-hydroxy-genistein
Showing entry for 8-hydroxy-genistein
Identification
- PhytoHub ID
- PHUB002600
- Name
- 8-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
- 5,7,8-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- ZKZCRGBCWBCSNJ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-15-12(13(9)19)10(17)5-11(18)14(15)20/h1-6,16-18,20H
- SMILES
OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.64e-01 g/l
- LogS (ALOGPS)
- -3.24
- LogP (ALOGPS)
- 2.68
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 1
- Polar Surface Area
- 107.22000000000001
- Refractivity
- 73.6638
- Polarizability
- 27.514008897226013
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.401301405682368
- pKa (strongest acidic)
- 6.760615765501105
- 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 Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Genistein | 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 | |||
---|---|---|---|---|---|
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genistein | 8-hydroxy-genistein | human | liver, urine | host metabolism | Not Available | Not Available | Not Available | C15H10O6 | 286.047738042 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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