MolPort-001-741-167

Synopsis, Chemistry

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Also known as: 481-53-8, Tangeritin, Ponkanetin, Pentamethoxyflavone, 4',5,6,7,8-pentamethoxyflavone, 5,6,7,8,4'-pentamethoxyflavone

Molecular Formula

C₂₀H₂₀O₇

Molecular Weight

372.4 g/mol

InChI Key

ULSUXBXHSYSGDT-UHFFFAOYSA-N

FDA UNII

I4TLA1DLX6

tangeretin is a natural product found in Ficus erecta var. beecheyana, Citrus tankan, and other organisms with data available.

1 2D Structure

MolPort-001-741-167

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

2.1.2 InChI

InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3

2.1.3 InChI Key

ULSUXBXHSYSGDT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC

2.2 Other Identifiers

2.2.1 UNII

I4TLA1DLX6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4',5,6,7,8-pentamethoxy-flavone

2. 4',5,6,7,8-pentamethoxyflavone

3. Tangeritin

2.3.2 Depositor-Supplied Synonyms

1. 481-53-8

2. Tangeritin

3. Ponkanetin

4. Pentamethoxyflavone

5. 4',5,6,7,8-pentamethoxyflavone

6. 5,6,7,8,4'-pentamethoxyflavone

7. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

8. 4h-1-benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-

9. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-chromen-4-one

10. Nsc 53909

11. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone

12. Nsc53909

13. Nsc-53909

14. I4tla1dlx6

15. Flavone, 4',5,6,7,8-pentamethoxy-

16. Chembl73930

17. Mls002667634

18. Chebi:9400

19. 4h-1-benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-

20. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

21. Nsc618905

22. Flavone, 5,6,7,8,4'-pentamethoxy

23. Nsc-618905

24. Tangeritin; Nsc53909; Nsc618905

25. Tangeretin (6ci)

26. Einecs 207-570-1

27. Unii-i4tla1dlx6

28. Brn 0351695

29. Ai3-23869

30. 4',5,6,7,8-pentamethoxy-flavone

31. Mfcd00017438

32. Tangeretin;tangeratin

33. Tangeretin (tangeritin)

34. 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one

35. Spectrum2_001698

36. Spectrum3_000920

37. Spectrum4_001019

38. Tangeritin [inci]

39. Tangeretin [who-dd]

40. Schembl19740

41. Kbiogr_001517

42. 5-18-05-00491 (beilstein Handbook Reference)

43. Flavone, 4',5,6,7,8-pentamethoxy- (7ci,8ci)

44. Spectrum1505269

45. Spbio_001656

46. Tangeretin, Analytical Standard

47. Megxp0_001011

48. Tangeretin, >=95% (hplc)

49. Acon1_001263

50. Kbio3_001900

51. Dtxsid30197417

52. Flavone,5,6,7,8-pentamethoxy-

53. Hms3651a22

54. Hy-n0133

55. Zinc1531699

56. 4'',5,6,7,8-pentamethoxyflavone

57. 4h-1-benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-

58. 5,6,7,8,4''-pentamethoxyflavone

59. Bdbm50209218

60. Ccg-38782

61. Lmpk12111443

62. S2363

63. Akos015895209

64. Ac-1699

65. Cs-5484

66. Nsc 618905

67. Sdccgmls-0066766.p001

68. Ncgc00095850-01

69. Ncgc00095850-02

70. Ncgc00169520-01

71. As-11637

72. Nci60_004330

73. Smr001557394

74. Ft-0632194

75. N2077

76. Sw219232-1

77. T2708

78. 481t538

79. A827490

80. Sr-05000002625

81. Cu-01000013437-2

82. Q-100525

83. Q1748737

84. Sr-05000002625-1

85. Brd-k25186396-001-02-1

86. Brd-k25186396-001-04-7

87. 4h-1-benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-

88. 4h-1-benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-

89. 4h-1-benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-

90. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one, 9ci

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀O₇
Molecular Weight	372.4 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	372.12090297 g/mol
Monoisotopic Mass	372.12090297 g/mol
Topological Polar Surface Area	72.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	540
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