Identification

PhytoHub ID
PHUB001216
Name
3,4-Dihydroxybenzoic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.121
Monoisotopic Mass
154.026608673
Chemical Formula
C7H6O4
IUPAC Name
3,4-dihydroxybenzoic acid
InChI Key
YQUVCSBJEUQKSH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
SMILES
OC(=O)C1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.24e+01 g/l
LogS (ALOGPS)
-1.10
LogP (ALOGPS)
1.32
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
77.76
Refractivity
37.275999999999996
Polarizability
13.851000704716842
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-6.341303650784174
pKa (strongest acidic)
4.160229176821464
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ferulic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
Ferulic acidAmerican cranberryFruit, Berries PublicationsShow
Ferulic acidApple juiceBeverages, Non-alcoholic PublicationsShow
Ferulic acidBeerBeverages, Alcoholic PublicationsShow
Ferulic acidBilberryFruit, Berries PublicationsShow
Ferulic acidBlack mulberryFruit, Berries PublicationsShow
Ferulic acidBlackberryFruit, Berries PublicationsShow
Ferulic acidBlueberryFruit, Berries PublicationsShow
Ferulic acidBroccoliVegetables, Cabbages PublicationsShow
Ferulic acidCocoa beanCocoa and cocoa products PublicationsShow
Ferulic acidCoffeeCoffee and coffee products PublicationsShow
Ferulic acidCommon beanPulses and beans PublicationsShow
Ferulic acidCommon walnutNuts PublicationsShow
Ferulic acidDateFruit, Other fruits PublicationsShow
Ferulic acidEggplantVegetables, Fruit vegetables PublicationsShow
Ferulic acidEuropean cranberryFruit, Berries PublicationsShow
Ferulic acidFennelHerbs and Spices PublicationsShow
Ferulic acidGrapefruitFruit, Citrus PublicationsShow
Ferulic acidHard wheatCereals and cereal products PublicationsShow
Ferulic acidOlive, blackFruit, Drupes PublicationsShow
Ferulic acidOlive, greenFruit, Drupes PublicationsShow
Ferulic acidOrange juiceBeverages, Non-alcoholic PublicationsShow
Ferulic acidRapeseedOilseed crops PublicationsShow
Ferulic acidRed raspberryFruit, Berries PublicationsShow
Ferulic acidRiceCereals and cereal products PublicationsShow
Ferulic acidRosemaryHerbs and Spices PublicationsShow
Ferulic acidSpinachVegetables, Leaf vegetables PublicationsShow
Ferulic acidStrawberryFruit, Berries PublicationsShow
Ferulic acidSweet orangeFruit, Citrus PublicationsShow
Ferulic acidTarragonHerbs and Spices PublicationsShow
Ferulic acidWhite wineBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Ferulic acid 3,4-Dihydroxybenzoic acidhumanplasma, urine Publications
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