metabolite

Showing entry for 3-(3'-Hydroxyphenyl)propionic acid

Identification

PhytoHub ID
PHUB001047
Name
3-(3'-Hydroxyphenyl)propionic acid
Synonyms
  • 3-(3-Hydroxyphenyl)propanoic acid
  • 3-hydroxyphenylpropionic acid
  • 3'-Hydroxy-dihydrocinnamic acid
  • m-Hydroxy-dihydrocinnamic acid
CAS Number
621-54-5
Average Mass
166.1739
Monoisotopic Mass
166.062994186
Chemical Formula
C9H10O3
IUPAC Name
3-hydroxyphenylpropionic acid
InChI Key
QVWAEZJXDYOKEH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
SMILES
OC(=O)CCC1=CC=CC(O)=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
2.80e+00 g/l
LogS (ALOGPS)
-1.77
LogP (ALOGPS)
1.14
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
57.53
Refractivity
43.947500000000005
Polarizability
16.91566623086139
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.964060407587341
pKa (strongest acidic)
4.214566239011227
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Precursor Taxonomy

PrecursorFamilyClassSub-class
(-)-EpicatechinPolyphenolsFlavonoidsFlavanolsShow Precursor
Procyanidin dimer A2PolyphenolsFlavonoidsFlavanolsShow Precursor
Procyanidin dimer B2PolyphenolsFlavonoidsFlavanolsShow Precursor
HesperetinPolyphenolsFlavonoidsFlavanonesShow Precursor
Caffeic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor
Caftaric acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor
Chlorogenic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor
Dihydrocaffeic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor
Ferulic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
(-)-EpicatechinAlmondNuts PublicationsShow
Caffeic acidAmerican cranberryFruit, Berries PublicationsShow
Ferulic acidAmerican cranberryFruit, Berries PublicationsShow
(-)-EpicatechinAppleFruit, Pomes PublicationsShow
Procyanidin dimer B2AppleFruit, Pomes PublicationsShow
Caffeic acidAppleFruit, Pomes PublicationsShow
Chlorogenic acidAppleFruit, Pomes PublicationsShow
(-)-EpicatechinApple ciderBeverages, Alcoholic PublicationsShow
Procyanidin dimer B2Apple ciderBeverages, Alcoholic PublicationsShow
Chlorogenic acidApple ciderBeverages, Alcoholic PublicationsShow
(-)-EpicatechinApple juiceBeverages, Non-alcoholic PublicationsShow
Procyanidin dimer B2Apple juiceBeverages, Non-alcoholic PublicationsShow
Caffeic acidApple juiceBeverages, Non-alcoholic PublicationsShow
Chlorogenic acidApple juiceBeverages, Non-alcoholic PublicationsShow
Ferulic acidApple juiceBeverages, Non-alcoholic PublicationsShow
(-)-EpicatechinApricotFruit, Drupes PublicationsShow
Procyanidin dimer B2ApricotFruit, Drupes PublicationsShow
Chlorogenic acidApricotFruit, Drupes PublicationsShow
Ferulic acidBeerBeverages, Alcoholic PublicationsShow
Ferulic acidBilberryFruit, Berries PublicationsShow
Ferulic acidBlack mulberryFruit, Berries PublicationsShow
(-)-EpicatechinBlack teaTeas and herbal teas PublicationsShow
Procyanidin dimer B2Black teaTeas and herbal teas PublicationsShow
(-)-EpicatechinBlackberryFruit, Berries PublicationsShow
Procyanidin dimer B2BlackberryFruit, Berries PublicationsShow
Caffeic acidBlackberryFruit, Berries PublicationsShow
Chlorogenic acidBlackberryFruit, Berries PublicationsShow
Ferulic acidBlackberryFruit, Berries PublicationsShow
Caffeic acidBlueberryFruit, Berries PublicationsShow
Chlorogenic acidBlueberryFruit, Berries PublicationsShow
Dihydrocaffeic acidBlueberryFruit, BerriesShow
Ferulic acidBlueberryFruit, Berries PublicationsShow
(-)-EpicatechinBroad beanPulses and beans PublicationsShow
Caffeic acidBroccoliVegetables, Cabbages PublicationsShow
Chlorogenic acidBroccoliVegetables, Cabbages PublicationsShow
Dihydrocaffeic acidBroccoliVegetables, CabbagesShow
Ferulic acidBroccoliVegetables, Cabbages PublicationsShow
Caffeic acidCarrotVegetables, Root vegetables PublicationsShow
Chlorogenic acidCarrotVegetables, Root vegetables PublicationsShow
Chlorogenic acidCherry tomatoVegetables, Fruit vegetables PublicationsShow
(-)-EpicatechinChocolateCocoa and cocoa products PublicationsShow
Caffeic acidCiderBeverages, Alcoholic PublicationsShow
Chlorogenic acidCiderBeverages, Alcoholic PublicationsShow
Dihydrocaffeic acidCiderBeverages, AlcoholicShow
(-)-EpicatechinCocoaCocoa and cocoa productsShow
Procyanidin dimer B2CocoaCocoa and cocoa products PublicationsShow
(-)-EpicatechinCocoa beanCocoa and cocoa products PublicationsShow
Ferulic acidCocoa beanCocoa and cocoa products PublicationsShow
(-)-EpicatechinCocoa powderCocoa and cocoa products PublicationsShow
Caffeic acidCoffeeCoffee and coffee products PublicationsShow
Chlorogenic acidCoffeeCoffee and coffee products PublicationsShow
Dihydrocaffeic acidCoffeeCoffee and coffee productsShow
Ferulic acidCoffeeCoffee and coffee products PublicationsShow
Ferulic acidCommon beanPulses and beans PublicationsShow
(-)-EpicatechinCommon chokecherryFruit, Drupes PublicationsShow
(-)-EpicatechinCommon walnutNuts PublicationsShow
Ferulic acidCommon walnutNuts PublicationsShow
Caffeic acidCommon wheatCereals and cereal products PublicationsShow
Dihydrocaffeic acidCommon wheatCereals and cereal productsShow
Dihydrocaffeic acidCornCereals and cereal productsShow
Ferulic acidDateFruit, Other fruits PublicationsShow
Ferulic acidEggplantVegetables, Fruit vegetables PublicationsShow
(-)-EpicatechinEuropean cranberryFruit, Berries PublicationsShow
Caffeic acidEuropean cranberryFruit, Berries PublicationsShow
Chlorogenic acidEuropean cranberryFruit, Berries PublicationsShow
Ferulic acidEuropean cranberryFruit, Berries PublicationsShow
(-)-EpicatechinEuropean plumFruit, Drupes PublicationsShow
Chlorogenic acidEuropean plumFruit, Drupes PublicationsShow
Ferulic acidFennelHerbs and Spices PublicationsShow
(-)-EpicatechinGrapeFruit, Berries PublicationsShow
Caftaric acidGrapeFruit, Berries PublicationsShow
Caftaric acidGrape wineBeverages, Alcoholic PublicationsShow
Ferulic acidGrapefruitFruit, Citrus PublicationsShow
Dihydrocaffeic acidGrapesFruit, BerriesShow
(-)-EpicatechinGreen teaTeas and herbal teasShow
Procyanidin dimer B2Green teaTeas and herbal teas PublicationsShow
Chlorogenic acidGreen teaTeas and herbal teas PublicationsShow
Ferulic acidHard wheatCereals and cereal products PublicationsShow
HesperetinLemonFruit, CitrusShow
Dihydrocaffeic acidLemonFruit, CitrusShow
Caftaric acidLettuceVegetables, Leaf vegetables PublicationsShow
Chlorogenic acidLettuceVegetables, Leaf vegetables PublicationsShow
Dihydrocaffeic acidLettuceVegetables, Leaf vegetablesShow
HesperetinLimeFruit, CitrusShow
Dihydrocaffeic acidLimeFruit, CitrusShow
Caffeic acidOlive, blackFruit, Drupes PublicationsShow
Chlorogenic acidOlive, blackFruit, Drupes PublicationsShow
Dihydrocaffeic acidOlive, blackFruit, Drupes PublicationsShow
Ferulic acidOlive, blackFruit, Drupes PublicationsShow
Caffeic acidOlive, greenFruit, Drupes PublicationsShow
Dihydrocaffeic acidOlive, greenFruit, Drupes PublicationsShow
Ferulic acidOlive, greenFruit, Drupes PublicationsShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
Ferulic acidOrange juiceBeverages, Non-alcoholic PublicationsShow
(-)-EpicatechinPeachFruit, Drupes PublicationsShow
Chlorogenic acidPeachFruit, Drupes PublicationsShow
(-)-EpicatechinPearFruit, Pomes PublicationsShow
Chlorogenic acidPearFruit, Pomes PublicationsShow
(-)-EpicatechinPomegranateFruit, Tropical fruits PublicationsShow
Chlorogenic acidPotatoVegetables, Tubers PublicationsShow
Ferulic acidRapeseedOilseed crops PublicationsShow
Ferulic acidRed raspberryFruit, Berries PublicationsShow
Ferulic acidRiceCereals and cereal products PublicationsShow
Chlorogenic acidRoasted coffeeCoffee and coffee products PublicationsShow
Ferulic acidRosemaryHerbs and Spices PublicationsShow
Caftaric acidSpinachVegetables, Leaf vegetables PublicationsShow
Dihydrocaffeic acidSpinachVegetables, Leaf vegetablesShow
Ferulic acidSpinachVegetables, Leaf vegetables PublicationsShow
(-)-EpicatechinStrawberryFruit, Berries PublicationsShow
Caffeic acidStrawberryFruit, Berries PublicationsShow
Chlorogenic acidStrawberryFruit, Berries PublicationsShow
Ferulic acidStrawberryFruit, Berries PublicationsShow
(-)-EpicatechinSweet cherryFruit, Drupes PublicationsShow
Caffeic acidSweet cherryFruit, Drupes PublicationsShow
Chlorogenic acidSweet cherryFruit, Drupes PublicationsShow
HesperetinSweet orangeFruit, CitrusShow
Ferulic acidSweet orangeFruit, Citrus PublicationsShow
Ferulic acidTarragonHerbs and Spices PublicationsShow
(-)-EpicatechinTeaTeas and herbal teas PublicationsShow
Caffeic acidTomatoVegetables, Fruit vegetables PublicationsShow
Chlorogenic acidTomatoVegetables, Fruit vegetables PublicationsShow
Dihydrocaffeic acidWheat breadCereals and cereal productsShow
Ferulic acidWhite wineBeverages, Alcoholic PublicationsShow
Caffeic acidWhite wine grapeFruit, Berries PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
(-)-Epicatechin 3-(3'-Hydroxyphenyl)propionic acidin vitro (human)Not AvailableC9H10O3166.062994186 Publications
Procyanidin dimer A2 3-(3'-Hydroxyphenyl)propionic acidin vitro (human)Not AvailableC9H10O3166.062994186 Publications
Procyanidin dimer B2 3-(3'-Hydroxyphenyl)propionic acidin vitro (human)Not AvailableC9H10O3166.062994186 Publications
Hesperetin 3-(3'-Hydroxyphenyl)propionic acidin vitro (pig)Not AvailableC9H10O3166.062994186 Publications
Caffeic acid 3-(3'-Hydroxyphenyl)propionic acidratplasma, urineC9H10O3166.062994186 Publications
Caftaric acid 3-(3'-Hydroxyphenyl)propionic acidNot AvailableNot AvailableC9H10O3166.062994186 Publications
Chlorogenic acid 3-(3'-Hydroxyphenyl)propionic acidratplasma, urineC9H10O3166.062994186 Publications
Dihydrocaffeic acid 3-(3'-Hydroxyphenyl)propionic acidraturineC9H10O3166.062994186 Publications
Ferulic acid 3-(3'-Hydroxyphenyl)propionic acidhuman ratplasma, urineC9H10O3166.062994186 Publications
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