5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide
metabolite

Showing entry for 5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide

Identification

PhytoHub ID
PHUB001745
Name
5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide
Systematic Name
Not Available
Synonyms
  • 4-hydroxy-5-(3-hydroxyphenyl)valeric acid-4-glucuronide
  • 4-hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-glucuronide
  • 5-(4-hydroxyphenyl)-4-hydroxyvaleric acid-4-glucuronide
  • 5-(4'-hydroxyphenyl)-4-hydroxyvaleric acid-4'-glucuronide
CAS Number
Not Available
Average Mass
402.352
Monoisotopic Mass
402.116211528
Chemical Formula
C17H22O11
IUPAC Name
6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key
LLKUARGHNZMSRT-UHFFFAOYNA-N
InChI Identifier
InChI=1/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-10(9(19)6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)
SMILES
OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
4.85e+00 g/l
LogS (ALOGPS)
-1.92
LogP (ALOGPS)
-0.45
Hydrogen Acceptors
11
Hydrogen Donors
7
Rotatable Bond Count
8
Polar Surface Area
194.20999999999998
Refractivity
88.81169999999999
Polarizability
38.398857137184024
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-2.7413075503390587
pKa (strongest acidic)
3.018325006282751
Number of Rings
2
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Polyphenols
Class
Polyphenol metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
(-)-EpicatechinPolyphenolsFlavonoidsFlavanolsShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
(-)-EpicatechinAlmondNuts PublicationsShow
(-)-EpicatechinAppleFruit, Pomes PublicationsShow
(-)-EpicatechinApple ciderBeverages, Alcoholic PublicationsShow
(-)-EpicatechinApple juiceBeverages, Non-alcoholic PublicationsShow
(-)-EpicatechinApricotFruit, Drupes PublicationsShow
(-)-EpicatechinBeerBeverages, Alcoholic PublicationsShow
(-)-EpicatechinBlack teaTeas and herbal teas PublicationsShow
(-)-EpicatechinBlackberryFruit, Berries PublicationsShow
(-)-EpicatechinBroad beanPulses and beans PublicationsShow
(-)-EpicatechinChocolateCocoa and cocoa products PublicationsShow
(-)-EpicatechinCiderBeverages, Alcoholic PublicationsShow
(-)-EpicatechinCocoaCocoa and cocoa products PublicationsShow
(-)-EpicatechinCocoa beanCocoa and cocoa products PublicationsShow
(-)-EpicatechinCocoa powderCocoa and cocoa products PublicationsShow
(-)-EpicatechinCommon chokecherryFruit, Drupes PublicationsShow
(-)-EpicatechinCommon walnutNuts PublicationsShow
(-)-EpicatechinEuropean cranberryFruit, Berries PublicationsShow
(-)-EpicatechinEuropean plumFruit, Drupes PublicationsShow
(-)-EpicatechinGrapeFruit, Berries PublicationsShow
(-)-EpicatechinGreen teaTeas and herbal teasShow
(-)-EpicatechinPeachFruit, Drupes PublicationsShow
(-)-EpicatechinPearFruit, Pomes PublicationsShow
(-)-EpicatechinPomegranateFruit, Tropical fruits PublicationsShow
(-)-EpicatechinStrawberryFruit, Berries PublicationsShow
(-)-EpicatechinSweet cherryFruit, Drupes PublicationsShow
(-)-EpicatechinTeaTeas and herbal teas PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(-)-Epicatechin 5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronideratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC17H22O11402.116211528 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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