O-Methyl(epi)catechin-3-O-gallate O-sulfate
Showing entry for O-Methyl(epi)catechin-3-O-gallate O-sulfate
Identification
- PhytoHub ID
- PHUB001066
- Name
- O-Methyl(epi)catechin-3-O-gallate O-sulfate
- Systematic Name
- Methoxy-(epi)catechin-3-O-gallate-sulfate
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 536.062467
- Monoisotopic Mass
- 536.4687232
- Chemical Formula
- C23H20O13S
- IUPAC Name
- Not Available
- InChI Key
- Not Available
- InChI Identifier
- Not Available
- SMILES
- Not Available
- Structure
- No structure
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
- Flavan-3-ols (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (-)-Epicatechin 3-O-gallate | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| Black tea Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | 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 | |||
|---|---|---|---|---|---|
| (-)-Epicatechin 3-O-gallate | Black tea | Teas and herbal teas | Publications | Show | |
| (-)-Epicatechin 3-O-gallate | Green tea | Teas and herbal teas | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (-)-Epicatechin 3-O-gallate | O-Methyl(epi)catechin-3-O-gallate O-sulfate | human | ileal fluid | Not Available | Not Available | Not Available | Not Available | C23H20O13S | 536.4687232 | Publications | |||
| Black tea Flavan-3-ols | O-Methyl(epi)catechin-3-O-gallate O-sulfate | human | plasma | host metabolism | 1h-3h | Not Available | Not Available | C23H20O13S | 536.4687232 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|