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p-Coumaric acid (PC001066)

Record Information
Version1.0
Creation date2018-04-10 11:26:36 UTC
Update date2018-04-16 15:00:22 UTC
FoodComEx IDPC001066
FoodDB RecordFDB002593
Chemical Information
Namep-Coumaric acid
DescriptionCoumaric acid is a hydroxycinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. p-Coumaric acid is found in many foods, some of which are apple, garden onion, blackberry, olive, strawberry, turmeric, green bell pepper, common thyme...
CAS Number7400-08-0
Structure
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MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
(2e)-3-(4-Hydroxyphenyl)acrylateGenerator
(2e)-3-(4-Hydroxyphenyl)acrylic acidChEBI
(e)-3-(4-Hydroxyphenyl)-2-propenoateGenerator
(e)-3-(4-Hydroxyphenyl)-2-propenoic acidChEBI
(e)-P-CoumarateGenerator
(e)-P-HydroxycinnamateGenerator
3-(4-Hydroxyphenyl)-2-propenoatebiospider
3-(4-Hydroxyphenyl)-2-propenoic acidbiospider
3-(4-Hydroxyphenyl)acrylatebiospider
3-(4-Hydroxyphenyl)acrylic acidbiospider
4-Coumaratebiospider
4-Coumaric acidbiospider
4-Hydroxy cinnamatebiospider
4-Hydroxy cinnamic acidbiospider
4-Hydroxycinnamatebiospider
4-Hydroxycinnamic acidbiospider
4-Hydroxyphenylpropenoatebiospider
4-Hydroxyphenylpropenoic acidbiospider
4'-HYDROXYCINNAMateGenerator
4'-HYDROXYCINNAMIC ACIDChEBI
b-[4-Hydroxyphenyl]acrylatebiospider
b-[4-Hydroxyphenyl]acrylic acidbiospider
beta-[4-Hydroxyphenyl]acrylatebiospider
beta-[4-Hydroxyphenyl]acrylic acidbiospider
HydroxycinnamateHMDB
Hydroxycinnamic acidHMDB
NaringeninateGenerator
Naringeninic acidChEBI
p-Coumaratebiospider
p-Coumaric aciddb_source
p-Cumaratebiospider
p-Cumaric aciddb_source
p-Hydroxy-cinnamic acidbiospider
p-Hydroxycinnamatebiospider
P-Hydroxycinnamic acidHMDB
p-Hydroxycinnamic acid, 8CIdb_source
p-Hydroxyphenylacrylatebiospider
p-Hydroxyphenylacrylic aciddb_source
Para coumarateHMDB
Para coumaric acidHMDB
para-Coumaratebiospider
para-Coumaric acidbiospider
trans-P-CoumarinateGenerator
Chemical FormulaC9H8O3
IUPAC name(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI IdentifierInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChI KeyNGSWKAQJJWESNS-ZZXKWVIFSA-N
Isomeric SMILESOC(=O)\C=C\C1=CC=C(O)C=C1
Average Molecular Weight164.158
Monoisotopic Molecular Weight164.047344122
Chemical Taxonomy
ClassPolyphenols
FamilyHydroxycinnamic acids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.79SANGSTER (1994)
Experimental Water SolubilityNot Available
Melting Point211.5 oC
Foods of Origin
Apple, garden onion, blackberry, olive, strawberry, turmeric, green bell pepper, common thyme and many others.
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
Purityunknown
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
AKSci D797
AKSci J40025
AKSci J92514
Toronto Research Chemicals C755365