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    Acacetin

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 480-44-4, Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-methoxyapigenin, Buddleoflavonol, Acacetine
    Molecular Formula
    C16H12O5
    Molecular Weight
    284.26  g/mol
    InChI Key
    DANYIYRPLHHOCZ-UHFFFAOYSA-N
    FDA UNII
    KWI7J0A2CC
    acacetin is a natural product found in Verbascum lychnitis, Odontites viscosus, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    2.1.2 InChI
    InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
    2.1.3 InChI Key
    DANYIYRPLHHOCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    KWI7J0A2CC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 480-44-4

    2. Linarigenin

    3. 5,7-dihydroxy-4'-methoxyflavone

    4. 4'-methoxyapigenin

    5. Buddleoflavonol

    6. Acacetine

    7. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one

    8. Linarisenin

    9. Apigenin 4'-methyl Ether

    10. Akatsetin

    11. 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

    12. 5,7-dioxy-4'-methoxyflavone

    13. Apisenin 4'-methyl Ether

    14. Apigenin 4'-dimethyl Ether

    15. 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-

    16. Nsc 76061

    17. Flavone, 5,7-dihydroxy-4'-methoxy-

    18. Acaetin

    19. 5,7-dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone

    20. 4'-o-methylapigenin

    21. Nsc76061

    22. Nsc-76061

    23. Kwi7j0a2cc

    24. 4'-methoxy-5,7-dihydroxyflavone

    25. Mls002693970

    26. Chembl243664

    27. Chebi:15335

    28. Smr001233299

    29. Sr-01000841189

    30. Einecs 207-552-3

    31. Unii-kwi7j0a2cc

    32. Brn 0277879

    33. Acaceztin

    34. 4-methylapigenin

    35. 4'-methylapigenin

    36. Prestwick_49

    37. Mfcd00016936

    38. 5,7-dihydroxy-4

    39. Kinome_3212

    40. Spectrum_000135

    41. Acacetin [mi]

    42. Prestwick0_000695

    43. Prestwick1_000695

    44. Prestwick2_000695

    45. Prestwick3_000695

    46. Spectrum5_000930

    47. Acacetin, Analytical Standard

    48. Bspbio_000849

    49. Kbioss_000595

    50. Spectrum200499

    51. 5-18-04-00575 (beilstein Handbook Reference)

    52. Mls002153960

    53. Divk1c_000878

    54. Schembl107712

    55. Spbio_002770

    56. Bpbio1_000935

    57. Bcbcmap01_000082

    58. Bdbm23415

    59. Hms502l20

    60. Kbio1_000878

    61. Kbio2_000595

    62. Kbio2_003163

    63. Kbio2_005731

    64. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

    65. Apigenin-4'-methyl Ether

    66. Dtxsid00197383

    67. Flavone,7-dihydroxy-4'-methoxy-

    68. Ninds_000878

    69. Hms1570k11

    70. Hms1922p12

    71. Hms2097k11

    72. Hms2234j17

    73. Hms3374f03

    74. Acacetin, >=97.0% (hplc)

    75. Bcp15815

    76. Hy-n0451

    77. Zinc3871358

    78. Lmpk12110468

    79. S5318

    80. Akos015903365

    81. Ccg-208517

    82. Cs-5336

    83. Idi1_000878

    84. Smp1_000001

    85. Ncgc00016458-01

    86. Ncgc00016458-02

    87. Ncgc00016458-03

    88. Ncgc00016458-04

    89. Ncgc00016458-05

    90. Ncgc00095213-01

    91. Ncgc00095213-02

    92. Ncgc00095213-03

    93. Ncgc00179402-01

    94. Ac-33976

    95. As-70345

    96. Cas-480-44-4

    97. Wln: T66 Bo Evj Cr Do1& Gq Iq

    98. Db-051509

    99. Ft-0645060

    100. N2109

    101. A14741

    102. C01470

    103. 480a444

    104. Q2822213

    105. Sr-01000841189-3

    106. Sr-01000841189-4

    107. Brd-k77685744-001-03-6

    108. Brd-k77685744-001-07-7

    109. 5,7-dihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one #

    110. 2-(4-methoxyphenyl)-5,7-dihydroxy-4h-1-benzopyran-4-one

    111. 4h-1-benzopyran-4-one,7-dihydroxy-2-(4-methoxyphenyl)-

    112. Be7185d3-6331-4e84-8c8e-5d10e505e37a

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 284.26 g/mol
    Molecular Formula C16H12O5
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass284.06847348 g/mol
    Monoisotopic Mass284.06847348 g/mol
    Topological Polar Surface Area76 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity424
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1