Genistein-7-O-glucuronide-4'-sulfate
Showing entry for Genistein-7-O-glucuronide-4'-sulfate
Identification
- PhytoHub ID
- PHUB002126
- Name
- Genistein-7-O-glucuronide-4'-sulfate
- Systematic Name
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-3-(4-sulfooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 526.42
- Monoisotopic Mass
- 526.041726434
- Chemical Formula
- C21H18O14S
- IUPAC Name
- Not Available
- InChI Key
- KYWPDPYIBFQJOX-ZFORQUDYSA-N
- InChI Identifier
InChI=1S/C21H18O14S/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1
- SMILES
[H][C@@]1(OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(OS(O)(=O)=O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
- Structure
Structure for Genistein-7-O-glucuronide-4'-sulfate
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- 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 |
| 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 | Genistein-7-O-glucuronide-4'-sulfate | human | plasma | host metabolism | 3h-5h | Not Available | Not Available | C21H18O14S | 526.041726434 | Publications | |||
| Genistein | Genistein-7-O-glucuronide-4'-sulfate | human | plasma | host metabolism | 3h-5h | 50-200 nmol/L | Not Available | C21H18O14S | 526.041726434 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|