Diosmetin 3'-O-glucuronide
Showing entry for Diosmetin 3'-O-glucuronide
Identification
- PhytoHub ID
- PHUB003029
- Name
- Diosmetin 3'-O-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 462.407
- Monoisotopic Mass
- 462.116211528
- Chemical Formula
- C22H22O11
- IUPAC Name
- 5,7-dihydroxy-2-(4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
- InChI Key
- VSFKAJPKOFGJTH-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C22H22O11/c1-30-13-3-2-9(14-7-12(26)18-11(25)5-10(24)6-16(18)31-14)4-15(13)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3
- SMILES
COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O
- Structure
Structure for Diosmetin 3'-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
- 5
- Polar Surface Area
- 175.37
- Refractivity
- 111.5215
- Polarizability
- 45.05995001525177
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.981092354915315
- pKa (strongest acidic)
- 6.577743539960782
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- 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
- Flavones (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Diosmetin | Polyphenols | Flavonoids | Flavones | 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)
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Diosmetin | Diosmetin 3'-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C22H22O11 | 462.116211528 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|