Identification

PhytoHub ID
PHUB001993
Name
5-(3',4'-dihydroxyphenyl)-γ-valerolactone
Systematic Name
5-(3′,4′-Dihydroxyphenyl)-γ-valerolactone
Synonyms
  • [M6]
  • 5-(3,4-dihydroxyphenyl)-γ-valerolactone
  • 5-(dihydroxyphenyl)-valerolactone
  • 5-(dihydroxyphenyl)-γ-valerolactone
  • δ-(3,4-dihydroxyphenyl)-γ-valerolactone
CAS Number
21618-92-8, 1108192-01-3, 191666-22-5
Average Mass
208.213
Monoisotopic Mass
208.073558866
Chemical Formula
C11H12O4
IUPAC Name
Not Available
InChI Key
ZNXXWTPQHVLMQT-MRVPVSSYSA-N
InChI Identifier
InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2/t8-/m1/s1
SMILES
OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O
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
Phenylvalerolactones and phenylvaleric acids

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Green tea Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Red Grape pomace Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Cranberry Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Cocoa Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Apple Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
Red Wine Flavan-3-olsPolyphenolsFlavonoidsFlavan-3-olsShow Food Phytochemical
(-)-EpicatechinPolyphenolsFlavonoidsFlavan-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
(-)-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

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Green tea Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
Red Grape pomace Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
Cranberry Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
Cocoa Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
Apple Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactonehumanplasma, urinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC11H12O4208.073558866
Red Wine Flavan-3-ols 5-(3',4'-dihydroxyphenyl)-γ-valerolactoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O4208.073558866 Detailed Intervention Studies
(-)-Epicatechin 5-(3',4'-dihydroxyphenyl)-γ-valerolactonehumanplasma, urinegut microbiota metabolite5h-8hNot AvailableNot AvailableC11H12O4208.073558866 Publications
Back