Identification

PhytoHub ID
PHUB001067
Name
O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate
Systematic Name
Methoxy-(epi)gallocatechin-3-O-gallate-sulfate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
552.057382
Monoisotopic Mass
552.4680283
Chemical Formula
C23H20O14S
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

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 PhytochemicalFamilyClassSub-class
(-)-Epigallocatechin 3-O-gallatePolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Black tea Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
(-)-Epigallocatechin 3-O-gallateBlack teaTeas and herbal teas PublicationsShow
(-)-Epigallocatechin 3-O-gallateGreen teaTeas and herbal teas PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(-)-Epigallocatechin 3-O-gallate O-Methyl(epi)gallocatechin-3-O-gallate O-sulfatehumanileal fluidNot AvailableNot AvailableNot AvailableNot AvailableC23H20O14S552.4680283 Publications
Black tea Flavan-3-ols O-Methyl(epi)gallocatechin-3-O-gallate O-sulfatehumanplasmahost metabolism1h-3hNot AvailableNot AvailableC23H20O14S552.4680283 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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