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    Cichoric Acid

    FINISHED DOSAGE FORMULATIONS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Cichoric acid, L-chicoric acid, 70831-56-0, 6537-80-0, (-)-chicoric acid, Dicaffeoyltartaric acid
    Molecular Formula
    C22H18O12
    Molecular Weight
    474.4  g/mol
    InChI Key
    YDDGKXBLOXEEMN-IABMMNSOSA-N
    FDA UNII
    S4YY3V8YHD
    cichoric acid is a natural product found in Cichorium intybus, Hydrastis canadensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
    2.1.2 InChI
    InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
    2.1.3 InChI Key
    YDDGKXBLOXEEMN-IABMMNSOSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    S4YY3V8YHD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (-)-chicoric Acid

    2. (-)-l-chicoric Acid

    3. (2r,3r)-2,3-bis(((2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-butanedioic Acid

    4. Cichoric Acid

    5. Dicaffeoyltartaric Acid

    6. L-chicoric Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Cichoric Acid

    2. L-chicoric Acid

    3. 70831-56-0

    4. 6537-80-0

    5. (-)-chicoric Acid

    6. Dicaffeoyltartaric Acid

    7. L-cichoric Acid

    8. (2r,3r)-2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic Acid

    9. (-)-l-chicoric Acid

    10. Nsc 699173

    11. L-dcta

    12. Chicoric Acid, (-)-

    13. Nsc699173

    14. S4yy3v8yhd

    15. Dicaffeoyl-l-tartaric Acid

    16. Trans-caffeoyltartaric Acid

    17. Chebi:3594

    18. Chembl282731

    19. 2,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)butanedioic Acid

    20. (r-(r*,r*-(e,e)))-2,3-bis((3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)butanedioic Acid

    21. Nsc-699173

    22. (2r,3r)-2,3-bis(((e)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)succinic Acid

    23. (2r,3r)-2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic Acid

    24. Chicoricacid

    25. (2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic Acid

    26. Butanedioic Acid, 2,3-bis[[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2r,3r)-

    27. Unii-s4yy3v8yhd

    28. L-chicoricacid

    29. 1-chicoricacid

    30. Cichoric-acid

    31. L-chicoric-acid

    32. Gkp

    33. ( ?)-chicoric Acid

    34. Ech Purpurea Pe

    35. Echinacea Purpurea Powder

    36. L-ca

    37. Ech Angustifolia Pe

    38. Dsstox_cid_13332

    39. Dsstox_rid_79064

    40. Dsstox_gsid_33332

    41. Echinacea Purpurea Root Extract

    42. Chicoric Acid [usp-rs]

    43. Dtxsid0033332

    44. Schembl15532218

    45. Chicoric Acid, >=95% (hplc)

    46. Hy-n0457

    47. Zinc4098726

    48. Tox21_201055

    49. Bdbm50076273

    50. Mfcd00189418

    51. S9133

    52. Akos000278435

    53. Ccg-269487

    54. Cs-4262

    55. Butanedioic Acid, 2,3-bis(((2e)-3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)-, (2r,3r)-

    56. ( -)-chicoric Acid, Analytical Standard

    57. Ncgc00091914-01

    58. Ncgc00091914-02

    59. Ncgc00091914-04

    60. Ncgc00258608-01

    61. Ac-34315

    62. Ac-36990

    63. As-56447

    64. Butanedioic Acid, 2,3-bis((3-(3,4-dihydroxphenyl)-1-oxo-2-propenyl)oxy)-, (r-(r*,r*-(e,e)))-

    65. Cas-70831-56-0

    66. C3450

    67. 831c560

    68. A914269

    69. Q5119402

    70. Tartaric Acid, Bis(3,4-dihydroxycinnamate)

    71. 2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic Acid

    72. Chicoric Acid, United States Pharmacopeia (usp) Reference Standard

    73. (2r,3r)-2,3-bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)succinic Acid

    74. (2r,3r)-2,3-bis((e)-3-(3,4-dihydroxyphenyl)acryloyloxy)succinic Acid

    75. (2r,3r)-2,3-bis-[(e)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-succinic Acid

    76. (2r,3r)-2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic Acid

    77. (2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}succinic Acid

    78. (2r,3r)-2,3-bis{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic Acid

    79. [s-(r*,r*)]-2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic Acid

    80. Butanedioic Acid, 2,3-bis(((2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (2r,3r)-

    81. Butanedioic Acid, 2,3-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (r-(r*,r*))-

    82. Butanedioic Acid, 2,3-bis[[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2r,3r)- (9ci)

    83. Butanedioic Acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [r-[r*,r*-(e,e)]]-

    84. Chicoric Acid (constituent Of Echinacea Angustifolia Root, Echinacea Pallida Root, Echinacea Purpurea Root And Echinacea Purpurea Aerial Parts) [dsc]

    85. Ncgc00091914-04!(2r,3r)-2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic Acid

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 474.4 g/mol
    Molecular Formula C22H18O12
    XLogP32
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count11
    Exact Mass474.07982601 g/mol
    Monoisotopic Mass474.07982601 g/mol
    Topological Polar Surface Area208 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity740
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    HIV Integrase Inhibitors

    Inhibitors of HIV INTEGRASE, an enzyme required for integration of viral DNA into cellular DNA. (See all compounds classified as HIV Integrase Inhibitors.)