Hesperetin-3'-glucuronide
Showing entry for Hesperetin-3'-glucuronide
Identification
- PhytoHub ID
- PHUB001092
- Name
- Hesperetin-3'-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 478.406
- Monoisotopic Mass
- 478.111126148
- Chemical Formula
- C22H22O12
- IUPAC Name
- 6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- AXWNOFHBYPBYNO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)
- SMILES
COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Hesperetin-3'-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.79e+00 g/l
- LogS (ALOGPS)
- -2.43
- LogP (ALOGPS)
- 0.72
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 192.43999999999997
- Refractivity
- 109.76479999999998
- Polarizability
- 45.34526078231213
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686827976962355
- pKa (strongest acidic)
- 3.0853684829126453
- 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
- Flavanones (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Hesperetin | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Hesperidin | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Orange flavanones | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Bergamote flavanones | Polyphenols | Flavonoids | Flavanones | 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 | |||
|---|---|---|---|---|---|
| Hesperidin | Grapefruit juice | Beverages, Non-alcoholic | Publications | Show | |
| Hesperetin | Lemon | Fruit, Citrus | Show | ||
| Hesperetin | Lime | Fruit, Citrus | Show | ||
| Hesperetin | Orange juice | Beverages, Non-alcoholic | Show | ||
| Hesperidin | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Hesperetin | Sweet orange | Fruit, Citrus | Show | ||
| Hesperidin | Sweet orange | Fruit, Citrus | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hesperetin | Hesperetin-3'-glucuronide | human rat | plasma (major), urine (major) | host metabolism | Not Available | Not Available | Not Available | C22H22O12 | 478.111126148 | Publications | |||
| Hesperidin | Hesperetin-3'-glucuronide | human rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C22H22O12 | 478.111126148 | Detailed Intervention Studies | Publications | ||
| Orange flavanones | Hesperetin-3'-glucuronide | human | plasma, urine | host metabolism | 3h-5h | <20 nmol/L | 5-10% | C22H22O12 | 478.111126148 | Detailed Intervention Studies | Publications | ||
| Bergamote flavanones | Hesperetin-3'-glucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C22H22O12 | 478.111126148 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|