metabolite

Showing entry for 5-(3'-Hydroxyphenyl)-gamma-valerolactone

Identification

PhytoHub ID
PHUB001249
Name
5-(3'-Hydroxyphenyl)-gamma-valerolactone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
192.214
Monoisotopic Mass
192.078644246
Chemical Formula
C11H12O3
IUPAC Name
5-[(3-hydroxyphenyl)methyl]oxolan-2-one
InChI Key
VYWFHBSBNKNWSB-UHFFFAOYNA-N
InChI Identifier
InChI=1/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2
SMILES
OC1=CC=CC(CC2CCC(=O)O2)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.14e+00 g/l
LogS (ALOGPS)
-2.23
LogP (ALOGPS)
1.78
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
46.53
Refractivity
51.326800000000006
Polarizability
19.788608692535647
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.9643648283069695
pKa (strongest acidic)
9.458154693249535
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanols

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Procyanidin dimer B2PolyphenolsFlavonoidsFlavanolsShow Food Phytochemical
(-)-EpicatechinPolyphenolsFlavonoidsFlavanolsShow 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
Procyanidin dimer B2AppleFruit, Pomes PublicationsShow
(-)-EpicatechinAppleFruit, Pomes PublicationsShow
Procyanidin dimer B2Apple ciderBeverages, Alcoholic PublicationsShow
(-)-EpicatechinApple ciderBeverages, Alcoholic PublicationsShow
Procyanidin dimer B2Apple juiceBeverages, Non-alcoholic PublicationsShow
(-)-EpicatechinApple juiceBeverages, Non-alcoholic PublicationsShow
Procyanidin dimer B2ApricotFruit, Drupes PublicationsShow
(-)-EpicatechinApricotFruit, Drupes PublicationsShow
(-)-EpicatechinBeerBeverages, Alcoholic PublicationsShow
Procyanidin dimer B2Black teaTeas and herbal teas PublicationsShow
(-)-EpicatechinBlack teaTeas and herbal teas PublicationsShow
Procyanidin dimer B2BlackberryFruit, Berries PublicationsShow
(-)-EpicatechinBlackberryFruit, Berries PublicationsShow
(-)-EpicatechinBroad beanPulses and beans PublicationsShow
(-)-EpicatechinChocolateCocoa and cocoa products PublicationsShow
(-)-EpicatechinCiderBeverages, Alcoholic PublicationsShow
Procyanidin dimer B2CocoaCocoa and cocoa products PublicationsShow
(-)-EpicatechinCocoaCocoa and cocoa products PublicationsShow
Procyanidin dimer B2Cocoa beanCocoa 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
Procyanidin dimer B2Green teaTeas and herbal teas 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
Procyanidin dimer B2 5-(3'-Hydroxyphenyl)-gamma-valerolactonein vitro (human)Not Availablegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC11H12O3192.078644246 Publications
(-)-Epicatechin 5-(3'-Hydroxyphenyl)-gamma-valerolactonein vitro (human)Not AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H12O3192.078644246 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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