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AM20040702
Also known as: 552-41-0, 2'-hydroxy-4'-methoxyacetophenone, 1-(2-hydroxy-4-methoxyphenyl)ethanone, Peonol, 2-hydroxy-4-methoxyacetophenone, Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-
Molecular Formula
C9H10O3
Molecular Weight
166.17  g/mol
InChI Key
UILPJVPSNHJFIK-UHFFFAOYSA-N
FDA UNII
3R834EPI82

paeonol is a natural product found in Vincetoxicum paniculatum, Vincetoxicum glaucescens, and other organisms with data available.
1 2D Structure

AM20040702

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-hydroxy-4-methoxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
2.1.3 InChI Key
UILPJVPSNHJFIK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=C(C=C(C=C1)OC)O
2.2 Other Identifiers
2.2.1 UNII
3R834EPI82
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-hydroxy-4-methoxyacetophenone

2. Peonol

2.3.2 Depositor-Supplied Synonyms

1. 552-41-0

2. 2'-hydroxy-4'-methoxyacetophenone

3. 1-(2-hydroxy-4-methoxyphenyl)ethanone

4. Peonol

5. 2-hydroxy-4-methoxyacetophenone

6. Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-

7. 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one

8. 4-o-methylresacetophenone

9. Resacetophenone-4-methyl Ether

10. Paeonal

11. Acetophenone, 2'-hydroxy-4'-methoxy-

12. 4'-methoxy-2'-hydroxyacetophenone

13. Mfcd00008730

14. 2-acetyl-5-methoxyphenol

15. 1-(2-hydroxy-4-methoxy-phenyl)ethanone

16. Chembl1079227

17. Chebi:69581

18. 3r834epi82

19. Nsc-401442

20. Resacetophenone 4-o-methyl Ether

21. 1-(2-hydroxy-4-methoxy-phenyl)-ethanone

22. Resacetophenone, 4-o-methyl Ester

23. Einecs 209-012-2

24. Nsc 401442

25. Brn 1282794

26. 2-hydroxy-4-methoxyacetophenone (4,4,4-d3)

27. Unii-3r834epi82

28. Ai3-10581

29. Paeonol (peonol)

30. Paeonol [inci]

31. 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone

32. Spectrum2_001981

33. Spectrum3_001686

34. Paeonol [who-dd]

35. 2-acetyl-5-methoxy-phenol

36. Cbiol_000986

37. Bspbio_003212

38. 4-08-00-01793 (beilstein Handbook Reference)

39. Mls006011902

40. Spectrum1601021

41. Spbio_002161

42. Schembl1449478

43. Zinc1906

44. Dtxsid1022059

45. Kbio3_002432

46. 4-methoxy 2-hydroxy Acetophenone

47. Hms3656e07

48. Hms3884j13

49. 2`-hydroxy-4`-methoxyacetophenone

50. Act07801

51. Hy-n0159

52. Bbl012127

53. Bdbm50310718

54. Ccg-39471

55. Iccb4_000282

56. Nsc401442

57. S2339

58. Stk078097

59. Akos000119646

60. Ac-7982

61. Sdccgmls-0066845.p001

62. 1-(2-hydroxy-4-methoxyphenyl)-ethanone

63. Ncgc00095977-01

64. Ncgc00095977-02

65. Ncgc00095977-03

66. 2'-hydroxy-4'-methoxyacetophenone, 99%

67. As-15489

68. Smr000112386

69. Sy013508

70. 1-(2-hydroxy-4-methoxyphenyl)ethanone #

71. 1-(4-methoxy-2-hydroxy-phenyl)-ethanone

72. 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one

73. Am20040702

74. Ft-0602529

75. Ft-0618875

76. H0789

77. N1847

78. Quinuclidin-3-one Oxime Hydrochloride;paeonol

79. Sw219250-1

80. 1-(4-methoxy-2-hydroxyphenyl)ethanone

81. 2-hydroxy-4-methoxyphenyl Methyl Ketone

82. 552h410

83. A830551

84. Sr-05000002397

85. Q-100626

86. Q7124105

87. Sr-05000002397-1

88. Brd-k94239562-001-02-2

89. Brd-k94239562-001-03-0

90. 2 Inverted Exclamation Mark -hydroxy-4 Inverted Exclamation Mark -methoxyacetophenone

91. 2 Inverted Exclamation Marka-hydroxy-4 Inverted Exclamation Marka-methoxyacetophenone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 166.17 g/mol
Molecular Formula C9H10O3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177 g/mol
Monoisotopic Mass166.062994177 g/mol
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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 Metabolism/Metabolites

Paeonol has known human metabolites that include (2-Acetyl-5-methoxyphenyl) hydrogen sulfate.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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