Genistein 7-O-glucuronide
Showing entry for Genistein 7-O-glucuronide
Identification
- PhytoHub ID
- PHUB001367
- Name
- Genistein 7-O-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 446.364
- Monoisotopic Mass
- 446.0849114
- Chemical Formula
- C21H18O11
- IUPAC Name
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
- InChI Key
- JIVINIISUDEORF-ZFORQUDYSA-N
- InChI Identifier
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
- SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
- Structure
Structure for Genistein 7-O-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 4
- Polar Surface Area
- 183.21
- Refractivity
- 103.69469999999997
- Polarizability
- 42.1152628693194
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.686826778068561
- pKa (strongest acidic)
- 2.7386133342715886
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 15940724
- Chemistry Dashboard
- DTXSID60579964
- Phenol-Explorer
- 874
- FooDB (Compounds)
- FDB029906
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 |
| Genistin | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Genistein | Genistein 7-O-glucuronide | human | plasma, urine | host metabolism | 3h-5h | <20 nmol/L | Not Available | C21H18O11 | 446.0849114 | Publications | |||
| Genistin | Genistein 7-O-glucuronide | human | plasma | host metabolism | Not Available | Not Available | Not Available | C21H18O11 | 446.0849114 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|