3′-Methoxy-(−)-epicatechin-5′-glucuronide
Showing entry for 3′-Methoxy-(−)-epicatechin-5′-glucuronide
Identification
- PhytoHub ID
- PHUB002266
- Name
- 3′-Methoxy-(−)-epicatechin-5′-glucuronide
- Systematic Name
- 3'-Methoxy-(−)-epicatechin-5′-glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 480.422
- Monoisotopic Mass
- 480.126776213
- Chemical Formula
- C22H24O12
- IUPAC Name
- Not Available
- InChI Key
- WMVRRRYTJXAVND-FDRKUGEKSA-N
- InChI Identifier
InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
- SMILES
[H][C@@]1(O)CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1
- Structure
Structure for 3′-Methoxy-(−)-epicatechin-5′-glucuronide
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 | 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)
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′-Methoxy-(−)-epicatechin-5′-glucuronide | human | plasma, urine | host metabolism | <1h | 20-50 nmol/L | <1% | C22H24O12 | 480.126776213 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|