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    15-Deoxy-Delta12,14-Prostaglandin J2

    PharmaCompass
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    2D Structure
    Also known as: 87893-55-8, 15d-pgj2, 15-deoxy-pgj2, 15-deoxy-delta12,14-prostaglandin j2, 15-deoxy-delta-12,14-pgj2, 15-dpgj2
    Molecular Formula
    C20H28O3
    Molecular Weight
    316.4  g/mol
    InChI Key
    VHRUMKCAEVRUBK-GODQJPCRSA-N
    FDA UNII
    ALI977775J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
    2.1.2 InChI
    InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
    2.1.3 InChI Key
    VHRUMKCAEVRUBK-GODQJPCRSA-N
    2.1.4 Canonical SMILES
    CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
    2.1.5 Isomeric SMILES
    CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ALI977775J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 15-deoxy-12,14-prostaglandin J2

    2. 15-deoxy-delta(12,14)-prostaglandin J2

    3. 15-deoxy-delta(12,14)pgj2

    2.3.2 Depositor-Supplied Synonyms

    1. 87893-55-8

    2. 15d-pgj2

    3. 15-deoxy-pgj2

    4. 15-deoxy-delta12,14-prostaglandin J2

    5. 15-deoxy-delta-12,14-pgj2

    6. 15-dpgj2

    7. Delta12,14-pgj 2

    8. 15-deoxy-delta12,14-pgj2

    9. (5z,12e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic Acid

    10. Prosta-5,9,12,14-tetraen-1-oic Acid, 11-oxo-, (5z,12e,14e)-

    11. J694.826j

    12. Chembl482477

    13. Chebi:34159

    14. Ali977775j

    15. Delta-12,14-15-deoxy-pgj2

    16. 15-deoxy-delta12,14-prostaglandin

    17. (z)-7-[(1s,5e)-5-[(e)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic Acid

    18. 15-deoxy-delta-12, 14 Pgj-2

    19. 15-deoxy-delta(12,14)-prostaglandin J2

    20. 15-deoxy-delta 12, 14-prostaglandin J2

    21. 11-oxo-5z,9,12e,14e-prostatetraenoic Acid

    22. 15-deoxy-

    23.  Currency-12,14-prostaglandin J2

    24. (5z,12e,14e)-11-oxo-prosta-5,9,12,14-tetraen-1-oic Acid

    25. Prosta-5,9,12,14-tetraen-1-oicacid, 11-oxo-, (5z,12e,14e)-

    26. 15-deoxy-d-12,14-prostaglandin J2

    27. Sr-05000002103

    28. Unii-ali977775j

    29. 15-deoxy-d-12,14-pgj2

    30. 15d-prostaglandin J2

    31. Delta12,14-pgj2

    32. Spectrum5_001971

    33. 15-deoxy-prostaglandin J2

    34. Bspbio_001361

    35. Bml2-b05

    36. Gtpl2692

    37. Schembl3177249

    38. Dtxsid1043706

    39. Hms1361e03

    40. Hms1791e03

    41. Hms1989e03

    42. Hms3402e03

    43. Hms3648l20

    44. Hms3648l22

    45. 15-deoxy .delta.12,14pgj2

    46. .delta.12,14-pgj 2

    47. Zinc5972962

    48. Bdbm50270612

    49. Lmfa03010021

    50. 15-deoxy-d12,14-prostaglandin J2

    51. 15-deoxy-?12,14-prostaglandin A2

    52. Akos024457040

    53. 15-deoxy-delta(12,14)-pgj2

    54. 15-deoxy-?-12,14-prostaglandin J2

    55. Idi1_033831

    56. 11-oxo-5z,9,12,14-prostatetraenoate

    57. Ncgc00161304-01

    58. Ncgc00161304-02

    59. Ncgc00161304-03

    60. Ncgc00161304-04

    61. Ncgc00161304-05

    62. 15-deoxy- Delta 12,14-prostaglandin A2

    63. 15-deoxy- Delta 12,14-prostaglandin J2

    64. Hy-108568

    65. 11-oxo-5z,9,12,14-prostatetraenoic Acid

    66. 15-deoxy-.delta.12,14-prostaglandin J2

    67. Cs-0029180

    68. 15-deoxy-

    69.  Currency12,14-prostaglandin J2

    70. 11-oxo-prosta-5z,9,12e,14e-tetraen-1-oic Acid

    71. 15-deoxy- Delta 12,14-prostaglandin J2 Solution

    72. J-002852

    73. Sr-05000002103-2

    74. Sr-05000002103-3

    75. Brd-k05396879-001-02-6

    76. Q27070775

    77. (5z,12e,14e) 11-oxo Prosta-5,9,12,14-tetraen-1-oate

    78. (5z,12e,14e)-11-oxo-prosta-5,9,12,14-tetraen-1-oate

    79. (5z,12e,14e) 11-oxo Prosta-5,9,12,14-tetraen-1-oic Acid

    80. Prosta-5,9,12,14-tetraen-1-oic Acid, 11-oxo (5z,12e,14e)

    81. 7-((s)-5-(oct-2-enylidene)-4-oxocyclopent-2-enyl)hept-5-enoic Acid

    82. Prosta-5,9,12,14-tetraen-1-oic Acid, 11-oxo-, (5z,12e,14e)- (9ci)

    83. (z)-7-[(1s,5e)-5-[(e)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic Acid

    84. (z)-7-[(1s,5e)-5-[(e)-oct-2-enylidene]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic Acid

    85. 15-deoxy-delta12,14-prostaglandin J2, >=95% (hplc), 1 Mg/ml In Methyl Acetate

    86. 87-57-0

    2.4 Create Date
    2005-06-01
    3 Chemical and Physical Properties
    Molecular Weight 316.4 g/mol
    Molecular Formula C20H28O3
    XLogP35
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count11
    Exact Mass316.20384475 g/mol
    Monoisotopic Mass316.20384475 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity495
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Immunologic Factors

    Biologically active substances whose activities affect or play a role in the functioning of the immune system. (See all compounds classified as Immunologic Factors.)