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    P-Coumaric Acid

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: P-coumaric acid, 501-98-4, P-hydroxycinnamic acid, 4-coumaric acid, Trans-4-hydroxycinnamic acid, 7400-08-0
    Molecular Formula
    C9H8O3
    Molecular Weight
    164.16  g/mol
    InChI Key
    NGSWKAQJJWESNS-ZZXKWVIFSA-N
    FDA UNII
    IBS9D1EU3J
    trans-4-Coumaric acid is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
    2.1.2 InChI
    InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
    2.1.3 InChI Key
    NGSWKAQJJWESNS-ZZXKWVIFSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C=CC(=O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1/C=C/C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    IBS9D1EU3J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-coumaric Acid

    2. 4-coumaric Acid, (e)-isomer

    3. 4-coumaric Acid, (z)-isomer

    4. 4-coumaric Acid, Disodium Salt

    5. P-coumaric Acid

    6. P-coumaryl Alcohol

    7. P-hydroxycinnamic Acid

    8. Para-coumaric Acid

    9. Phenol, 4-(3-hydroxy-1-propenyl)-

    10. Trans-3-(4'-hydroxyphenyl)-2-propenoic Acid

    11. Trans-hppa

    2.3.2 Depositor-Supplied Synonyms

    1. P-coumaric Acid

    2. 501-98-4

    3. P-hydroxycinnamic Acid

    4. 4-coumaric Acid

    5. Trans-4-hydroxycinnamic Acid

    6. 7400-08-0

    7. Trans-p-coumaric Acid

    8. P-cumaric Acid

    9. 3-(4-hydroxyphenyl)acrylic Acid

    10. Para-coumaric Acid

    11. Hydroxycinnamic Acid

    12. Naringeninic Acid

    13. P-hydroxy-cinnamic Acid

    14. (e)-p-coumaric Acid

    15. (e)-3-(4-hydroxyphenyl)acrylic Acid

    16. Trans-4-coumaric Acid

    17. Trans-p-coumarinic Acid

    18. 4'-hydroxycinnamic Acid

    19. 2-propenoic Acid, 3-(4-hydroxyphenyl)-, (2e)-

    20. P-hydroxyphenylacrylic Acid

    21. Cinnamic Acid, P-hydroxy-

    22. (e)-p-hydroxycinnamic Acid

    23. Trans-p-hydroxycinnamic Acid

    24. (e)-3-(4-hydroxyphenyl)prop-2-enoic Acid

    25. 3-(4-hydroxyphenyl)-2-propenoic Acid

    26. (2e)-3-(4-hydroxyphenyl)prop-2-enoic Acid

    27. 4-coumarate

    28. Trans-p-hydroxycinnamate

    29. 2-propenoic Acid, 3-(4-hydroxyphenyl)-

    30. 4-hydroxycinnamate

    31. Cinnamic Acid, P-hydroxy-, (e)-

    32. (e)-3-(4-hydroxyphenyl)-2-propenoic Acid

    33. Trans-4-hydroxycinnamate

    34. (2e)-3-(4-hydroxyphenyl)acrylic Acid

    35. Beta-(4-hydroxyphenyl)acrylic Acid

    36. Para Coumaric Acid

    37. (e)-4-hydroxycinnamic Acid

    38. Nsc 59260

    39. 3-(4-hydroxyphenyl)prop-2-enoic Acid

    40. 4-hydroxycinamic Acid

    41. Ibs9d1eu3j

    42. 2-propenoic Acid, 3-(4-hydroxyphenyl)-, (e)-

    43. 4-hydroxy Cinnamic Acid

    44. Chembl66879

    45. Chebi:32374

    46. Beta-[4-hydroxyphenyl]acrylic Acid

    47. Nsc-59260

    48. Nsc674321

    49. 2-propenoic Acid, 3-(4-hydroxyphenyl)-, Homopolymer

    50. Nsc-674321

    51. 50940-26-6

    52. Trans-p-coumarate

    53. 3-(4-hydroxyphenyl)acrylate

    54. Coumaric Acids

    55. Mfcd00004399

    56. .beta.-[4-hydroxyphenyl]acrylic Acid

    57. Parahydroxycinnamic Acid

    58. (e)-3-[4-hydroxyphenyl]-2-propenoic Acid

    59. Trans-p-cumaric Acid

    60. .beta.-(4-hydroxyphenyl)acrylic Acid

    61. 2-propenoic Acid, 3-(4-hydroxyphenyl)-, (z)-

    62. Einecs 231-000-0

    63. Unii-ibs9d1eu3j

    64. Nsc 674321

    65. Chebi:36090

    66. Brn 2207381

    67. Brn 2207383

    68. Hydroxycinnamate

    69. Para Coumarate

    70. P-coumaric-acid

    71. Para-coumarate

    72. P-cumarate

    73. Naringeninic-acid

    74. P-hydroxycinnamate

    75. 4qem

    76. Coumaric Acid, P-

    77. 4'-hydroxycinnamate

    78. 4-hydroxy Cinnamate

    79. P-coumaric Acid,trans

    80. Oristar Pca

    81. P-coumaric Acid 98%

    82. 4f8j

    83. P-coumaric Acid, Trans

    84. 4-hydroxyphenylpropenoate

    85. (2e)-3-(4-hydroxyphenyl)-2-propenoic Acid

    86. Bmse000150

    87. Bmse000591

    88. Bmse010208

    89. Trans-4-hydroxycinnamicacid

    90. B-[4-hydroxyphenyl]acrylate

    91. Schembl39106

    92. P-hydroxycinnamic Acid (m4)

    93. 0-10-00-00297 (beilstein Handbook Reference)

    94. 4-10-00-01005 (beilstein Handbook Reference)

    95. Mls001066419

    96. P-hydroxycinnamic Acid, Trans

    97. P-coumaric Acid [mi]

    98. Beta-[4-hydroxyphenyl]acrylate

    99. Bdbm4374

    100. Gtpl5787

    101. Para Hydroxycinnamic Acid

    102. Sodium2,4-pentanedionate

    103. B-[4-hydroxyphenyl]acrylic Acid

    104. Trans-p-hydroxyzimtsa Currencyure

    105. Zinc39811

    106. Dtxsid30901076

    107. P-coumaric Acid [who-dd]

    108. Hms1409e10

    109. 3-(4-hydroxyphenyl)-2-propenoate

    110. Hydroxycinnamic Acid [inci]

    111. Bcp22803

    112. Hy-n2391

    113. Nsc59260

    114. Str06515

    115. 4-hydroxyphenylpropenoic Acid

    116. Cinnamic Acid, 4-hydroxy-, Trans-

    117. Ac7957

    118. Bbl012226

    119. Ck2547

    120. S4759

    121. S9564

    122. Stl163567

    123. Akos000120685

    124. P-coumaric Acid;p-hydroxycinnamic Acid

    125. Bcp9001042

    126. Ccg-266309

    127. Cs-w020394

    128. Db04066

    129. P-coumaric Acid, >=98.0% (hplc)

    130. (e)-3-(4-hydroxyphenyl)prop-2-enoate

    131. Ncgc00246974-01

    132. Ac-10318

    133. Ac-34130

    134. Ac-34133

    135. As-12000

    136. Bp-13278

    137. Smr000112201

    138. Trans-p-coumaric Acid, Analytical Standard

    139. Am20050138

    140. N1817

    141. A14559

    142. A19490

    143. C00811

    144. Q99374

    145. (2e)-3-(4-hydroxyphenyl)-2-propenoic Acid #

    146. 400h080

    147. A828008

    148. Ae-562/40414679

    149. Trans-p-coumaric Acid 1000 Microg/ml In Acetone

    150. Q-100560

    151. W-104438

    152. 0c1bff2d-2cf7-4fc1-9f76-3268c2c7f783

    153. F2191-0188

    154. P-coumaric Acid, Primary Pharmaceutical Reference Standard

    155. P-coumaric Acid Methyl Ester Geometric Isomer (tentative, Mse)

    156. (e)-3-(4-hydroxyphenyl)prop-2-enoate;trans-4-hydroxycinnamic Acid

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 164.16 g/mol
    Molecular Formula C9H8O3
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass164.047344113 g/mol
    Monoisotopic Mass164.047344113 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity178
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

    Contraceptive Agents, Male

    Chemical substances or agents with contraceptive activity in males. Use for male contraceptive agents in general or for which there is no specific heading. (See all compounds classified as Contraceptive Agents, Male.)

    Free Radical Scavengers

    Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY. (See all compounds classified as Free Radical Scavengers.)