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Also known as: 28608-75-5, Lutexin, Luteolin 8-c-glucoside, Orientine, Luteolin-8-glucoside, 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-5,7-dihydroxy-

Molecular Formula

C₂₁H₂₀O₁₁

Molecular Weight

448.4 g/mol

InChI Key

PLAPMLGJVGLZOV-VPRICQMDSA-N

FDA UNII

IAX93XCW6C

orientin is a natural product found in Pseudarrhenatherum longifolium, Itea omeiensis, and other organisms with data available.

1 2D Structure

Orientin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

2.1.2 InChI

InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1

2.1.3 InChI Key

PLAPMLGJVGLZOV-VPRICQMDSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O

2.1.5 Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

IAX93XCW6C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-c-beta-glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-one

2. Luteolin 8-c-beta-d-glucopyranoside

3. Luteolin-8-c-glucoside

4. Orientine

2.3.2 Depositor-Supplied Synonyms

1. 28608-75-5

2. Lutexin

3. Luteolin 8-c-glucoside

4. Orientine

5. Luteolin-8-glucoside

6. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-5,7-dihydroxy-

7. 8-beta-d-glucosylluteolin

8. Iax93xcw6c

9. Luteolin 8-glucoside

10. Chebi:7781

11. 2-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-5,7-dihydroxy-4h-1-benzopyran-4-one

12. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

13. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

14. C10114

15. Orientin (flavone)

16. 8-glucosylluteolin

17. Luteolin-8-c-glucoside

18. 2-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-5,7-dihydroxy-4h-chromen-4-one

19. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-d-glucopyranosyl-5,7-dihydroxy-

20. Unii-iax93xcw6c

21. Nsc-133101

22. Use

23. Mfcd00017432

24. 8-.beta.-d-glucopyranosyl-3',4',5,7-tetrahydroxyflavone

25. Schembl25942

26. Orientin, Analytical Standard

27. Massbank Pr020063

28. Chembl520866

29. Orientin, >=97% (hplc)

30. Bdbm84982

31. Dtxsid60182790

32. Luteolin 8-c-b-d-glucopyranoside

33. Niaid Aids# 026706

34. Hms3886j16

35. Hy-n0405

36. Zinc4098560

37. 8-.beta.-d-glucosylluteolin

38. S9099

39. Akos015896746

40. Ccg-269214

41. Ncgc00482848-01

42. Ac-34280

43. As-73888

44. J17.734b

45. Luteolin 8-c-.beta.-glucopyranoside

46. Cs-0008937

47. O0503

48. Luteolin 8-c-.beta.-d-glucopyranoside

49. 608o755

50. A819507

51. Orientin, Primary Pharmaceutical Reference Standard

52. Q421676

53. 8-b-d-glucopyranosyl-3',4',7'-tetrahydroxyflavone

54. Q-100362

55. 2-(3,4-dihydroxyphenyl)-8-.beta.-d-glucopyranosyl-5,7-dihydroxy-4h-chromen-4-one

56. (1s)-1,5-anhydro-1-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-8-yl)-d-glucitol

57. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(.beta.-d-glucopyranosyl)-4h-1-benzopyran-4-one

58. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4h-chromen-4-one

59. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

60. 2-(3,4-dihydroxyphenyl)-8-.beta.-d-glucopyranosyl-5,7-dihydroxy-4h-1-benzopyran-4-one

61. 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one; 5281675; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

62. 8-(.beta.-d-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-1-benzopyran-4-one

63. D-glucitol, 1,5-anhydro-1-c-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-8-yl)-, (1s)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀O₁₁
Molecular Weight	448.4 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	448.10056145 g/mol
Monoisotopic Mass	448.10056145 g/mol
Topological Polar Surface Area	197 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	729
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