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Chemistry

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Also known as: 4773-96-0, Chinonin, Alpizarin, Hedysarid, Chinomin, Aphloiol
Molecular Formula
C19H18O11
Molecular Weight
422.3  g/mol
InChI Key
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
FDA UNII
1M84LD0UMD

Mangiferin
mangiferin is a natural product found in Salacia chinensis, Smilax bracteata, and other organisms with data available.
1 2D Structure

Mangiferin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
2.1.2 InChI
InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
2.1.3 InChI Key
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
2.1.4 Canonical SMILES
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
2.1.5 Isomeric SMILES
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
1M84LD0UMD
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one

2. 9h-xanthen-9-one, 2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-

3. Alpizarin

4. Chinonin

2.3.2 Depositor-Supplied Synonyms

1. 4773-96-0

2. Chinonin

3. Alpizarin

4. Hedysarid

5. Chinomin

6. Aphloiol

7. Alpizarine

8. Shamimin

9. 1m84ld0umd

10. Hedysaride

11. Chebi:6682

12. 2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one

13. (1s)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9h-xanthen-2-yl)-d-glucitol

14. 1,3,6,7-tetrahydroxy-2-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-9h-xanthen-9-one

15. 9h-xanthen-9-one, 2-.beta.-d-glucopyranosyl-1,3,6,7-tetrahydroxy-

16. Chedisaride

17. Euxanthogen

18. Mannipherin

19. Chinoinin

20. Chinomine

21. 1,3,6,7-tetrahydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

22. 9h-xanthen-9-one, 2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy- (9ci)

23. Unii-1m84ld0umd

24. Cid_5358385

25. Mangiferol

26. Nsc248870

27. Nsc-248870

28. Mangiferin,(s)

29. Xanthone-c-glucoside

30. Mfcd00075656

31. Nsc 248870

32. 9h-xanthen-9-one, 2-b-d-glucopyranosyl-1,3,6,7-tetrahydroxy-

33. 9h-xanthen-9-one, 2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-

34. Mangiferin [inci]

35. Mangiferin Mangifera Indica

36. Mangiferin [usp-rs]

37. Mangiferin [who-dd]

38. Schembl556844

39. Mangiferin, Analytical Standard

40. Chembl464825

41. Bcbcmap01_000240

42. Dtxsid60197263

43. Hy-n0290

44. Zinc4098535

45. Bdbm50248691

46. S3808

47. Stl564509

48. Akos015896788

49. Ccg-268909

50. Cs-4663

51. Smp1_000290

52. Ac-34484

53. As-15337

54. M2886

55. N1329

56. 773m960

57. Mangifera Indica Bark Dry Extract [usp-rs]

58. Q-100508

59. Q1074417

60. C2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone

61. Mangiferin, European Pharmacopoeia (ep) Reference Standard

62. 1,3,6,7-tetrahydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 422.3 g/mol
Molecular Formula C19H18O11
XLogP3-0.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass422.08491139 g/mol
Monoisotopic Mass422.08491139 g/mol
Topological Polar Surface Area197 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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