Genistein 4'-sulfate
Showing entry for Genistein 4'-sulfate
Identification
- PhytoHub ID
- PHUB002129
- Name
- Genistein 4'-sulfate
- Systematic Name
- [4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] hydrogen sulfate
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 350.3
- Monoisotopic Mass
- 350.009638456
- Chemical Formula
- C15H10O8S
- IUPAC Name
- [4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid
- InChI Key
- KIWWRRLFZKBEAL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O8S/c16-9-5-12(17)14-13(6-9)22-7-11(15(14)18)8-1-3-10(4-2-8)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)
- SMILES
OC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC=C(OS(O)(=O)=O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.37e-01 g/l
- LogS (ALOGPS)
- -3.17
- LogP (ALOGPS)
- 0.79
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 130.35999999999999
- Refractivity
- 81.67469999999999
- Polarizability
- 31.922875445946957
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -5.346569681969931
- pKa (strongest acidic)
- -2.495074982679752
- 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 | |
---|---|---|---|---|
Genistin | 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)
No food source information available of its precursor(s)
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 | Genistein 4'-sulfate | human | plasma | host metabolism | 3h-5h | <20 nmol/L | Not Available | C15H10O8S | 350.009638456 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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