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    CAS 2478-38-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2478-38-8, 3',5'-dimethoxy-4'-hydroxyacetophenone, 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone, 4'-hydroxy-3',5'-dimethoxyacetophenone, Acetosyringenin, 3,5-dimethoxy-4-hydroxyacetophenone
    Molecular Formula
    C10H12O4
    Molecular Weight
    196.20  g/mol
    InChI Key
    OJOBTAOGJIWAGB-UHFFFAOYSA-N
    FDA UNII
    866P45Y84S
    Acetosyringone 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
    1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
    2.1.3 InChI Key
    OJOBTAOGJIWAGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=C(C(=C1)OC)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    866P45Y84S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetosyringenin

    2.3.2 Depositor-Supplied Synonyms

    1. 2478-38-8

    2. 3',5'-dimethoxy-4'-hydroxyacetophenone

    3. 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

    4. 4'-hydroxy-3',5'-dimethoxyacetophenone

    5. Acetosyringenin

    6. 3,5-dimethoxy-4-hydroxyacetophenone

    7. Acetosyringon

    8. Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

    9. Acetophenone, 4'-hydroxy-3',5'-dimethoxy-

    10. 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one

    11. 4-hydroxy-3,5-dimethoxyacetophenone

    12. 4-hydroksy-3',5'-dwumetoksyacetofenon

    13. Acetophenone, 3,5-dimethoxy-4-hydroxy-

    14. Chebi:2404

    15. 4-hydroxy-3,5-dimethoxyacetophennone

    16. 866p45y84s

    17. Ccris 7286

    18. Einecs 219-610-5

    19. Mfcd00008748

    20. Brn 1966119

    21. 4-acetylsyringol

    22. Unii-866p45y84s

    23. 4-hydroksy-3',5'-dwumetoksyacetofenon [polish]

    24. Spectrum_001915

    25. Specplus_000955

    26. Spectrum2_000429

    27. Spectrum3_001115

    28. Spectrum4_001953

    29. Spectrum5_000695

    30. 1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone

    31. Bmse000576

    32. Bmse010032

    33. Schembl15511

    34. Bspbio_002850

    35. Kbiogr_002389

    36. Kbioss_002457

    37. Spectrum300610

    38. Mls002207209

    39. Divk1c_007051

    40. 4-acetyl-2,6-dimethoxyphenol

    41. Spbio_000418

    42. Chembl224146

    43. Dtxsid2062454

    44. Kbio1_001995

    45. Kbio2_002450

    46. Kbio2_005018

    47. Kbio2_007586

    48. Kbio3_002070

    49. Phenol, 4-acetyl-2,6-dimethoxy

    50. Zinc156899

    51. Bbl101364

    52. Ccg-39967

    53. S4955

    54. Stl555160

    55. Akos005258861

    56. Cs-w010600

    57. Hy-w009884

    58. Sdccgmls-0066948.p001

    59. Ncgc00095819-01

    60. Ncgc00095819-02

    61. 3', 5'-dimethoxy-4'-hydroxyacetophenone

    62. Ms-20205

    63. Smr000112388

    64. Db-022069

    65. A5075

    66. D2666

    67. Ft-0634308

    68. 1-(3,5-dimethoxy-4-oxidanyl-phenyl)ethanone

    69. 3',5'-dimethoxy-4'-hydroxyacetophenone, 97%

    70. 4'-hydroxy-3',5'-dimethoxyacetophenone, 97%

    71. F20446

    72. 478d388

    73. A817490

    74. Q906309

    75. Sr-05000002436

    76. A1-00327

    77. Sr-05000002436-1

    78. W-107282

    79. Brd-k66643401-001-02-4

    80. Brd-k66643401-001-04-0

    81. Z2418193700

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 196.20 g/mol
    Molecular Formula C10H12O4
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass196.07355886 g/mol
    Monoisotopic Mass196.07355886 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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-Asthmatic Agents

    Drugs that are used to treat asthma. (See all compounds classified as Anti-Asthmatic Agents.)

    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.)