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Chemistry

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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
acacetin is a natural product found in Verbascum lychnitis, Odontites viscosus, and other organisms with data available.
1 2D Structure

Acacetin

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

REF. STANDARDS & IMPURITIES

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