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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 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 Formula	C₁₆H₁₂O₅
Molecular Weight	284.26 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	284.06847348 g/mol
Monoisotopic Mass	284.06847348 g/mol
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1