Hesperetin-3',7-diglucuronide
Showing entry for Hesperetin-3',7-diglucuronide
Identification
- PhytoHub ID
- PHUB001090
- Name
- Hesperetin-3',7-diglucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 654.53
- Monoisotopic Mass
- 654.143214126
- Chemical Formula
- C28H30O18
- IUPAC Name
- Not Available
- InChI Key
- PJAUEKWZQWLQSU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)
- SMILES
COC1=CC(=CC=C1OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O
- Structure
Structure for Hesperetin-3',7-diglucuronide
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
- 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 |
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',7-diglucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C28H30O18 | 654.143214126 | Publications | |||
| Hesperidin | Hesperetin-3',7-diglucuronide | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C28H30O18 | 654.143214126 | Publications | |||
| Orange flavanones | Hesperetin-3',7-diglucuronide | human | plasma, urine | host metabolism | 5h-8h | <20 nmol/L | <1% | C28H30O18 | 654.143214126 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|