Identification

PhytoHub ID
PHUB001334
Name
4-Hydroxyhippuric acid
Synonyms
  • 4-Hydroxyhippurate
  • 4'-Hydroxyhippuric acid
  • N-(4-hydroxybenzoyl)glycine
CAS Number
2482-25-9
Average Mass
195.1721
Monoisotopic Mass
195.053157781
Chemical Formula
C9H9NO4
IUPAC Name
[(4-hydroxyphenyl)formamido]acetic acid
InChI Key
ZMHLUFWWWPBTIU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
SMILES
OC(=O)CNC(=O)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.63e+00 g/l
LogS (ALOGPS)
-1.87
LogP (ALOGPS)
0.44
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
86.63
Refractivity
48.0986
Polarizability
18.539797993825562
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-1.1703331113622055
pKa (strongest acidic)
3.238573183597331
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Orange flavanonesPolyphenolsFlavonoidsFlavanonesShow Precursor
HesperetinPolyphenolsFlavonoidsFlavanonesShow Precursor
RutinPolyphenolsFlavonoidsFlavonolsShow Precursor
QuercetinPolyphenolsFlavonoidsFlavonolsShow Precursor
Caffeic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
QuercetinAmerican cranberryFruit, Berries PublicationsShow
Caffeic acidAmerican cranberryFruit, Berries PublicationsShow
QuercetinAppleFruit, Pomes PublicationsShow
Caffeic acidAppleFruit, Pomes PublicationsShow
RutinApple juiceBeverages, Non-alcoholic PublicationsShow
QuercetinApple juiceBeverages, Non-alcoholic PublicationsShow
Caffeic acidApple juiceBeverages, Non-alcoholic PublicationsShow
RutinApricotFruit, Drupes PublicationsShow
RutinAsparagusVegetables, Other vegetables PublicationsShow
RutinBlack teaTeas and herbal teas PublicationsShow
QuercetinBlack teaTeas and herbal teas PublicationsShow
RutinBlackberryFruit, Berries PublicationsShow
QuercetinBlackberryFruit, Berries PublicationsShow
Caffeic acidBlackberryFruit, Berries PublicationsShow
Caffeic acidBlueberryFruit, Berries PublicationsShow
QuercetinBroccoliVegetables, Cabbages PublicationsShow
Caffeic acidBroccoliVegetables, Cabbages PublicationsShow
Caffeic acidCarrotVegetables, Root vegetables PublicationsShow
RutinCherry tomatoVegetables, Fruit vegetables PublicationsShow
QuercetinCherry tomatoVegetables, Fruit vegetables PublicationsShow
Caffeic acidCiderBeverages, Alcoholic PublicationsShow
Caffeic acidCoffeeCoffee and coffee products PublicationsShow
Caffeic acidCommon wheatCereals and cereal products PublicationsShow
Caffeic acidEggplantVegetables, Fruit vegetables PublicationsShow
QuercetinEuropean cranberryFruit, Berries PublicationsShow
Caffeic acidEuropean cranberryFruit, Berries PublicationsShow
Caffeic acidEuropean plumFruit, Drupes PublicationsShow
RutinGreen teaTeas and herbal teas PublicationsShow
QuercetinGreen teaTeas and herbal teas PublicationsShow
HesperetinLemonFruit, CitrusShow
QuercetinLettuceVegetables, Leaf vegetables PublicationsShow
HesperetinLimeFruit, CitrusShow
RutinOlive, blackFruit, Drupes PublicationsShow
Caffeic acidOlive, blackFruit, Drupes PublicationsShow
Caffeic acidOlive, greenFruit, Drupes PublicationsShow
QuercetinOnionVegetables, Onion-family PublicationsShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
QuercetinOrange juiceBeverages, Non-alcoholic PublicationsShow
QuercetinParsnipVegetables, Root vegetables PublicationsShow
Caffeic acidPearFruit, Pomes PublicationsShow
Caffeic acidStrawberryFruit, Berries PublicationsShow
RutinSweet cherryFruit, Drupes PublicationsShow
Caffeic acidSweet cherryFruit, Drupes PublicationsShow
HesperetinSweet orangeFruit, CitrusShow
QuercetinTomatoVegetables, Fruit vegetables PublicationsShow
Caffeic acidTomatoVegetables, Fruit vegetables PublicationsShow
Caffeic acidWhite wine grapeFruit, Berries PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Orange flavanones 4-Hydroxyhippuric acidhumanurineC9H9NO4195.053157781 Publications
Hesperetin 4-Hydroxyhippuric acidhumanplasma, urineC9H9NO4195.053157781 Publications
Rutin 4-Hydroxyhippuric acidhumanurineC9H9NO4195.053157781 Publications
Quercetin 4-Hydroxyhippuric acidhumanurineC9H9NO4195.053157781 Publications
Caffeic acid 4-Hydroxyhippuric acidhumanNot AvailableC9H9NO4195.053157781 Publications
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