Identification

PhytoHub ID
PHUB000608
Name
Ferulic acid
Synonyms
  • (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid
  • 3-Methoxy-4-hydroxycinnamic acid
  • 4-Hydroxy-3-methoxycinnamic acid
  • trans-Ferulic acid
CAS Number
537-98-4
Average Mass
194.184
Monoisotopic Mass
194.057908808
Chemical Formula
C10H10O4
IUPAC Name
ferulic acid
InChI Key
KSEBMYQBYZTDHS-HWKANZROSA-N
InChI Identifier
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES
COC1=C(O)C=CC(\C=C\C(O)=O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
9.06e-01 g/l
LogS (ALOGPS)
-2.33
LogP (ALOGPS)
1.58
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
66.75999999999999
Refractivity
51.504000000000005
Polarizability
19.18010367078505
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.89396153310966
pKa (strongest acidic)
3.7673485922827705
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxycinnamic acids

Spectra

Record IDSourceDescriptionView
JP002207MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007239MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011305MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011308MassBankEI-B Spectrum - -, [M]+*View Spectra
KO001106MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO001107MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO001108MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO001109MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO001110MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000089MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
KZ000133MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00227MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010004MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR100004MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100005MassBankLC-ESI-QTOF Spectrum - 30 V, unspecifiedView Spectra
PR100482MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS001101ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS001102ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS001103ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS103901ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS103902ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS103907ReSpectN/A Spectrum - 10, [M-H]-View Spectra

Food Sources

NameGroup
American cranberryFruit, Berries PublicationsShow
Apple juiceBeverages, Non-alcoholic PublicationsShow
BeerBeverages, Alcoholic PublicationsShow
BilberryFruit, Berries PublicationsShow
Black mulberryFruit, Berries PublicationsShow
BlackberryFruit, Berries PublicationsShow
BlueberryFruit, Berries PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
Cocoa beanCocoa and cocoa products PublicationsShow
CoffeeCoffee and coffee products PublicationsShow
Common beanPulses and beans PublicationsShow
Common walnutNuts PublicationsShow
DateFruit, Other fruits PublicationsShow
EggplantVegetables, Fruit vegetables PublicationsShow
European cranberryFruit, Berries PublicationsShow
FennelHerbs and Spices PublicationsShow
GrapefruitFruit, Citrus PublicationsShow
Hard wheatCereals and cereal products PublicationsShow
Olive, blackFruit, Drupes PublicationsShow
Olive, greenFruit, Drupes PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
RapeseedOilseed crops PublicationsShow
Red raspberryFruit, Berries PublicationsShow
RiceCereals and cereal products PublicationsShow
RosemaryHerbs and Spices PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
StrawberryFruit, Berries PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
TarragonHerbs and Spices PublicationsShow
White wineBeverages, Alcoholic PublicationsShow
PrecursorFood SourceFood Source Group
Caffeic acidAmerican cranberryFruit, Berries PublicationsShow
Caffeic acidAppleFruit, Pomes PublicationsShow
Chlorogenic acidAppleFruit, Pomes PublicationsShow
Chlorogenic acidApple ciderBeverages, Alcoholic PublicationsShow
Caffeic acidApple juiceBeverages, Non-alcoholic PublicationsShow
Chlorogenic acidApple juiceBeverages, Non-alcoholic PublicationsShow
Chlorogenic acidApricotFruit, Drupes PublicationsShow
Cyanidin 3-O-glucosideBlackberryFruit, Berries PublicationsShow
Caffeic acidBlackberryFruit, Berries PublicationsShow
Chlorogenic acidBlackberryFruit, Berries PublicationsShow
Caffeic acidBlueberryFruit, Berries PublicationsShow
Chlorogenic acidBlueberryFruit, Berries PublicationsShow
Caffeic acidBroccoliVegetables, Cabbages PublicationsShow
Chlorogenic acidBroccoliVegetables, Cabbages PublicationsShow
Caffeic acidCarrotVegetables, Root vegetables PublicationsShow
Chlorogenic acidCarrotVegetables, Root vegetables PublicationsShow
Chlorogenic acidCherry tomatoVegetables, Fruit vegetables PublicationsShow
Caffeic acidCiderBeverages, Alcoholic PublicationsShow
Chlorogenic acidCiderBeverages, Alcoholic PublicationsShow
Caffeic acidCoffeeCoffee and coffee products PublicationsShow
Chlorogenic acidCoffeeCoffee and coffee products PublicationsShow
Caffeic acidCommon wheatCereals and cereal products PublicationsShow
Caffeic acidEuropean cranberryFruit, Berries PublicationsShow
Chlorogenic acidEuropean cranberryFruit, Berries PublicationsShow
Chlorogenic acidEuropean plumFruit, Drupes PublicationsShow
Chlorogenic acidGreen teaTeas and herbal teas PublicationsShow
Cyanidin 3-O-glucosideLettuceVegetables, Leaf vegetables PublicationsShow
Chlorogenic acidLettuceVegetables, Leaf vegetables PublicationsShow
Cyanidin 3-O-glucosideOlive, blackFruit, Drupes PublicationsShow
Caffeic acidOlive, blackFruit, Drupes PublicationsShow
Chlorogenic acidOlive, blackFruit, Drupes PublicationsShow
Caffeic acidOlive, greenFruit, Drupes PublicationsShow
Chlorogenic acidPeachFruit, Drupes PublicationsShow
Chlorogenic acidPearFruit, Pomes PublicationsShow
Cyanidin 3-O-glucosidePomegranate juiceBeverages, Non-alcoholic PublicationsShow
Chlorogenic acidPotatoVegetables, Tubers PublicationsShow
Chlorogenic acidRoasted coffeeCoffee and coffee products PublicationsShow
Cyanidin 3-O-glucosideStrawberryFruit, Berries PublicationsShow
Caffeic acidStrawberryFruit, Berries PublicationsShow
Chlorogenic acidStrawberryFruit, Berries PublicationsShow
Cyanidin 3-O-glucosideSweet cherryFruit, Drupes PublicationsShow
Caffeic acidSweet cherryFruit, Drupes PublicationsShow
Chlorogenic acidSweet cherryFruit, Drupes PublicationsShow
Caffeic acidTomatoVegetables, Fruit vegetables PublicationsShow
Chlorogenic acidTomatoVegetables, Fruit vegetables PublicationsShow
Caffeic acidWhite wine grapeFruit, Berries PublicationsShow
Back