MolPort-001-740-780

Synopsis, Chemistry

ANALYTICAL SOLUTION(s)

1 USP Standards, 3 Other Ref. Standards

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Also known as: Luteoloside, 5373-11-5, Luteolin 7-glucoside, Luteolin-7-o-glucoside, Cinaroside, Glucoluteolin

Molecular Formula

C₂₁H₂₀O₁₁

Molecular Weight

448.4 g/mol

InChI Key

PEFNSGRTCBGNAN-QNDFHXLGSA-N

FDA UNII

98J6XDS46I

luteolin 7-O-glucoside is a natural product found in Verbascum lychnitis, Carex fraseriana, and other organisms with data available.

1 2D Structure

MolPort-001-740-780

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

2.1.2 InChI

InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1

2.1.3 InChI Key

PEFNSGRTCBGNAN-QNDFHXLGSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

98J6XDS46I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-

2. Cinaroside

3. Galuteolin

4. Luteolin-7-beta-d-glucoside

5. Luteolin-7-glucoside

6. Luteolin-7-o-beta-d-glucopyranoside

7. Luteolin-7-o-glucoside

8. Luteolin-7-o-monoglucoside

9. Luteoloside

10. Nephrocizin

11. Nephrocizine

2.3.2 Depositor-Supplied Synonyms

1. Luteoloside

2. 5373-11-5

3. Luteolin 7-glucoside

4. Luteolin-7-o-glucoside

5. Cinaroside

6. Glucoluteolin

7. Luteolin 7-o-glucoside

8. 7-glucoluteolin

9. 7-glucosylluteolin

10. Luteolin-7-glucoside

11. Luteolin 7-monoglucoside

12. Luteolin 7-o-beta-d-glucoside

13. Luteolin 7-o-glucopyranoside

14. Flavopurposide

15. Daphneflavonoloside

16. 7-o-beta-d-glucosyl-5,7,3',4'-tetrahydroxyflavone

17. Mls002473222

18. 98j6xds46i

19. Chembl233929

20. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

21. 26811-41-6

22. Luteolin 7-.beta.-d-glucoside

23. Chebi:27994

24. Smr000232358

25. 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-4h-1-benzopyran-4-one

26. Luteolin-7-o-d-glucopyranoside

27. Nephrocizin

28. Luteolin Glucoside

29. 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4h-chromen-7-yl Beta-d-glucopyranoside

30. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-d-glucopyranosyloxy)-5-hydroxy-

31. 4h-1-benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-d-glucopyranosyloxy)-5-hydroxy-

32. 7-(beta-d-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one

33. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

34. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one

35. Luteolin, Glucoside

36. Nephrocizine

37. Luteolin Monoglucoside

38. Sr-01000867987

39. Nsc-724451

40. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-4h-chromen-4-one

41. Einecs 226-365-8

42. Mfcd06799436

43. Luteolin 7-beta-glucoside

44. Luteolin 7-o-d-glucoside

45. Flavon, 3',4',5,7-tetrahydroxy-, Glucoside

46. Luteolin 7-o--d-glucoside

47. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-

48. Luteolin-7-o-beta-glucoside

49. Unii-98j6xds46i

50. Luteolin 7-o-b-d-glucoside

51. Luteolin-7-d-glucopyranoside

52. Schembl149118

53. Luteolin 7-b-d-glucopyranoside

54. Megxp0_000619

55. Luteolin-7-o-glucoside ,(s)

56. Regid_for_cid_657946

57. Cid_5280637

58. Dtxsid50949617

59. Regid_for_cid_5280637

60. Hms2224o21

61. Luteolin 7-glucoside [mi]

62. Flavone, 3',4',5,7-tetrahydroxy-, Mono-beta-d-glucopyranoside

63. Hy-n0540

64. Zinc4096258

65. 7-.beta.-d-glucosylluteolin

66. Bdbm50241242

67. Luteolin 7-.beta.-d-glucopyranoside

68. S9018

69. Akos015903261

70. Ac-6054

71. Ccg-269211

72. Cs-5712

73. Luteolin 7-o-.beta.-glucoside

74. Nsc 724451

75. Luteolin 7-o-.beta.-d-glucoside

76. Luteolin 7-o-glucoside [usp-rs]

77. Ncgc00163589-01

78. Ncgc00163589-02

79. As-73889

80. Luteolin 7-glucoside, Analytical Standard

81. Luteolin 5-o-.beta.-glucopyranoside

82. Luteolin 7-o-.beta.-glucopyranoside

83. N1724

84. N2724

85. Luteolin 7-o-.beta.-d-glucopyranoside

86. Luteolin, 7-.beta.-d-glucopyranoside

87. Luteolin-7-o-4c1-.beta.-d-glucoside

88. C03951

89. 373l115

90. Luteolin 7-o-beta-d-glucoside, >=98.0% (hplc)

91. Luteolin-7-o-glucoside 1000 Microg/ml In Ethanol

92. Q2317288

93. Sr-01000867987-2

94. Sr-01000867987-3

95. 7-(.beta.-d-glucosyloxy)-3',4',5-trihydroxyflavone

96. Luteolin 7-glucoside, Primary Pharmaceutical Reference Standard

97. 3',4',5,7-tetrahydroxyflavone 7-.beta.-d-glucopyranoside

98. 3',4',5-trihydroxyflavone 7-o-.beta.-d-glucopyranoside

99. 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4h-chromen-7-yl Hexopyranoside #

100. Luteolin 7-o-glucoside, United States Pharmacopeia (usp) Reference Standard

101. 4h-1-benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(

102. A-d-glucopyranosyloxy)-5-hydroxy-

103. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

104. 2-(3,4-dihydroxyphenyl)-7-(.beta.-d-glucopyranosyloxy)-5-hydroxy-4h-1-benzopyran-4-one

105. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Mono-beta-d-glucopyranoside

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀O₁₁
Molecular Weight	448.4 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	448.10056145 g/mol
Monoisotopic Mass	448.10056145 g/mol
Topological Polar Surface Area	186 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	714
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1