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    6-epicastanospermine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 79831-76-8, Castinospermine, 6-epicastanospermine, 1,6,7,8-tetrahydroxyoctahydroindolizine, (1s,6s,7r,8r,8ar)-1,6,7,8-tetrahydroxyindolizidine, 6,7-diepicastanospermine
    Molecular Formula
    C8H15NO4
    Molecular Weight
    189.21  g/mol
    InChI Key
    JDVVGAQPNNXQDW-TVNFTVLESA-N
    FDA UNII
    Q0I3184XM7
    castanospermine is a natural product found in Alexa grandiflora, Alexa wachenheimii, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
    2.1.2 InChI
    InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
    2.1.3 InChI Key
    JDVVGAQPNNXQDW-TVNFTVLESA-N
    2.1.4 Canonical SMILES
    C1CN2CC(C(C(C2C1O)O)O)O
    2.1.5 Isomeric SMILES
    C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Q0I3184XM7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,6,7,8-tetrahydroxyoctahydroindolizine

    2. 1-epicastanospermine

    3. 6,7-diepicastanospermine

    4. 6-epicastanospermine

    5. Castinospermine

    2.3.2 Depositor-Supplied Synonyms

    1. 79831-76-8

    2. Castinospermine

    3. 6-epicastanospermine

    4. 1,6,7,8-tetrahydroxyoctahydroindolizine

    5. (1s,6s,7r,8r,8ar)-1,6,7,8-tetrahydroxyindolizidine

    6. 6,7-diepicastanospermine

    7. (1s,6s,7r,8r,8ar)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol

    8. Chebi:27860

    9. Q0i3184xm7

    10. 79831-76-8 (free Base)

    11. Nsc-625381

    12. (1s,6s,7r,8r,8ar)-octahydroindolizine-1,6,7,8-tetrol

    13. (1s,6s,7r,8r,8ar)-octahydroindolizine-1,6,7,8-tetraol

    14. (1s-(1alpha,6beta,7alpha,8beta,8alphabeta))-octahydro-1,6,7,8-indolizinetetrol

    15. Cts

    16. Sr-01000597675

    17. Mfcd00017555

    18. Nsc 625381

    19. Unii-q0i3184xm7

    20. Indolizine Der.

    21. Nsc625381

    22. 2cbu

    23. Octahydro-indolizine-1,6,7,8-tetraol

    24. Cid54445

    25. Cast

    26. (1s,6s,7r,8r,8ar)-octahydro-1,6,7,8-indolizinetetrol

    27. Molmap_000013

    28. Upcmld-dp122

    29. Castanospermine [mi]

    30. Schembl61040

    31. Bspbio_001552

    32. Kbiogr_000272

    33. Kbioss_000272

    34. Mls000028641

    35. Chembl311226

    36. Upcmld-dp122:001

    37. Upcmld-dp122:002

    38. Upcmld-dp122:003

    39. Bcbcmap01_000133

    40. Bdbm36388

    41. Kbio2_000272

    42. Kbio2_002840

    43. Kbio2_005408

    44. Kbio3_000543

    45. Kbio3_000544

    46. Bio1_000396

    47. Bio1_000885

    48. Bio1_001374

    49. Bio2_000272

    50. Bio2_000752

    51. Dtxsid601026043

    52. Hms1361n14

    53. Hms1791n14

    54. Hms1989n14

    55. Hms2232g11

    56. Hms3266b08

    57. Hms3402n14

    58. Hms3414h05

    59. Hms3678h05

    60. Hy-n2022

    61. Zinc3775177

    62. Akos024458634

    63. Ccg-208170

    64. Cs-5633

    65. Db01816

    66. Idi1_034022

    67. Smp1_000059

    68. Ncgc00024773-02

    69. Ncgc00024773-04

    70. Smr000059227

    71. B6439

    72. Octahydro-indolizine-1,6,7,8-tetraol, 13

    73. C02256

    74. Q753104

    75. Sr-01000597675-1

    76. Sr-01000597675-4

    77. W-203822

    78. Castanospermine From Castanospermum Australe Seeds

    79. 81041b9a-d148-44dc-a86d-c78d6abf9633

    80. (1s,6s,7r,8r,8ar)-1,6,7,8-tetrahydroxyindolizidine, 98%

    81. 1,6,7,8-indolizinetetrol, Octahydro-,?(1s,6s,7r,8r,8ar)-

    82. [1s-(1?,6?,7?,8?,8a?)]-octahydro-1,6,7,8-indolizinetetrol

    83. Castanospermine, >=94% (gc), Bioultra, From Castanospermum Australe Seeds

    84. 1,6,7,8-indolizinetetrol, Octahydro-, (1s-(1alpha,6beta,7alpha,8beta,8abeta))-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 189.21 g/mol
    Molecular Formula C8H15NO4
    XLogP3-2.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass189.10010796 g/mol
    Monoisotopic Mass189.10010796 g/mol
    Topological Polar Surface Area84.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity201
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    Immunosuppressive Agents

    Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Glycoside Hydrolase Inhibitors

    Compounds that inhibit or block the activity of GLYCOSIDE HYDROLASES such as ALPHA-AMYLASES and ALPHA-GLUCOSIDASES. (See all compounds classified as Glycoside Hydrolase Inhibitors.)