Hesperetin-5-sulfate
Showing entry for Hesperetin-5-sulfate
Identification
- PhytoHub ID
- PHUB001104
- Name
- Hesperetin-5-sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 382.34
- Monoisotopic Mass
- 382.035853205
- Chemical Formula
- C16H14O9S
- IUPAC Name
- Not Available
- InChI Key
- QRULBSSBAHHSES-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-10(12)18)13-7-11(19)16-14(24-13)5-9(17)6-15(16)25-26(20,21)22/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)
- SMILES
COC1=CC=C(C=C1O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O)C=C2O1
- Structure
Structure for Hesperetin-5-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
- Flavanones (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| 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 | |
| Hesperidin | Orange juice | Beverages, Non-alcoholic | Publications | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hesperidin | Hesperetin-5-sulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C16H14O9S | 382.035853205 | Publications | |||
| Orange flavanones | Hesperetin-5-sulfate | human | plasma, urine | host-gut microbiota co-metabolite | 5h-8h | <20 nmol/L | <1% | C16H14O9S | 382.035853205 | Detailed Intervention Studies | Publications | ||
| Bergamote flavanones | Hesperetin-5-sulfate | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C16H14O9S | 382.035853205 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|