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trans-Ferulic acid (PC001087)

Record Information
Version1.0
Creation date2018-04-10 11:58:54 UTC
Update date2018-04-17 12:50:30 UTC
FoodComEx IDPC001087
FoodDB RecordFDB012802
Chemical Information
Nametrans-Ferulic acid
DescriptionFerulic acid is a hydroxycinnamic acid, an organic compound. It is an abundant phenolic phytochemical found in plant cell walls, covalently bonded as side chains to molecules such as arabinoxylans. Ferulic acid is found in a number of vegetable sources, and occurs in particularly high concentrations in popcorn and bamboo shoots. It is a major metabolite of chlorogenic acids in humans along with caffeic and isoferulic acid.
CAS Number537-98-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoatebiospider
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acidbiospider
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidbiospider
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoatebiospider
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acidbiospider
(E)-4-Hydroxy-3-methoxy-cinnamatebiospider
(E)-4-Hydroxy-3-methoxy-cinnamic acidbiospider
(E)-4-Hydroxy-3-methoxycinnamatebiospider
(E)-4-Hydroxy-3-methoxycinnamic acidbiospider
(e)-4'-Hydroxy-3'-methoxycinnamateGenerator
(E)-4'-Hydroxy-3'-methoxycinnamic acidbiospider
(E)-Ferulatebiospider
(E)-Ferulic acidbiospider
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-biospider
3-(4-Hydroxy-3-methoxyphenyl)propenoateGenerator
3-(4-Hydroxy-3-methoxyphenyl)propenoic acidChEBI
3-Methoxy-4-hydroxy-trans-cinnamateGenerator
3-Methoxy-4-hydroxy-trans-cinnamic acidChEBI
4-Hydroxy-3-methoxy-(E)-cinnamic acidbiospider
4-Hydroxy-3-methoxycinnamateGenerator
4-Hydroxy-3-methoxycinnamic acidChEBI
FerulateGenerator
trans-4-Hydroxy-3-methoxycinnamatebiospider
trans-4-Hydroxy-3-methoxycinnamic acidbiospider
trans-Ferulatebiospider
trans-Ferulic acidbiospider
Chemical FormulaC10H10O4
IUPAC name(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI IdentifierInChI=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+
InChI KeyKSEBMYQBYZTDHS-HWKANZROSA-N
Isomeric SMILESCOC1=C(O)C=CC(\C=C\C(O)=O)=C1
Average Molecular Weight194.184
Monoisotopic Molecular Weight194.057908808
Chemical Taxonomy
ClassPolyphenols
FamilyHydroxycinnamic acids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.51HANSCH,C ET AL. (1995)
Experimental Water SolubilityNot Available
Melting PointMp 174°DFC
Foods of Origin
Berries, vegetables, popcorn, coffee
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purity>98%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
Glentham GK2300
Toronto Research Chemicals F308895