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Also known as: 3681-93-4, Apigenin 8-c-glucoside, Vitxein, 8-beta-d-glucopyranosyl-apigenin, 9vp70k75ok, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Molecular Formula

C₂₁H₂₀O₁₀

Molecular Weight

432.4 g/mol

InChI Key

SGEWCQFRYRRZDC-VPRICQMDSA-N

FDA UNII

9VP70K75OK

vitexin is a natural product found in Itea omeiensis, Itea chinensis, and other organisms with data available.

1 2D Structure

Vitexin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1

2.1.3 InChI Key

SGEWCQFRYRRZDC-VPRICQMDSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

C1=CC(=CC=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

2.2 Other Identifiers

2.2.1 UNII

9VP70K75OK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-glycosyl-apigenin

2. 8-glycosylapigenin

3. Apigenin 8-c-glucoside

2.3.2 Depositor-Supplied Synonyms

1. 3681-93-4

2. Apigenin 8-c-glucoside

3. Vitxein

4. 8-beta-d-glucopyranosyl-apigenin

5. 9vp70k75ok

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

7. Chebi:16954

8. Mfcd00017456

9. 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-beta-d-glucopyranosyl-2-(4-hydroxyphenyl)-

10. Flavone, 8-d-glucosyl-4',5,7-trihydroxy-

11. (1s)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-8-yl]-d-glucitol

12. 4h-1-benzopyran-4-one, 8-.beta.-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

13. 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

14. 8-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

15. Einecs 222-963-8

16. Unii-9vp70k75ok

17. Vitexin,(s)

18. Orientoside

19. Vitexina

20. Vitexine

21. Vitexin [inci]

22. Vitexin [usp-rs]

23. Vitexin [who-dd]

24. Vitexin, Analytical Standard

25. Schembl25277

26. Chembl487417

27. Dtxsid90190287

28. Apigenin 8-c-.beta.-d-glucoside

29. Act02625

30. Hy-n0013

31. Zinc4245684

32. Bdbm50362886

33. S9192

34. Akos025311479

35. Ac-6086

36. Ccg-208516

37. 4h-1-benzopyran-4-one, 8-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

38. Ncgc00163642-01

39. Vitexin 100 Microg/ml In Acetone:water

40. 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

41. As-55909

42. (hydroxymethyl)tetrahydro-2h-pyran-2-yl)-

43. Cs-0007090

44. N1319

45. Apigenin-8-c-.beta.-d-glucopyranoside

46. C01460

47. 681v934

48. Q259075

49. Vitexin, Primary Pharmaceutical Reference Standard

50. Q-100437

51. 8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-

52. 5,7,4'-trihydroxyflavone 8-c-.beta.-d-glucopyranoside

53. Vitexin, United States Pharmacopeia (usp) Reference Standard

54. Flavone, 8-.beta.-d-glucopyranosyl-4',5,7-trihydroxy-

55. Vitexin (constituent Of Hawthorn Leaf With Flower) [dsc]

56. 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-.beta.-d-glucopyranosyl-2-(4-hydroxyphenyl)-

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀O₁₀
Molecular Weight	432.4 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	432.10564683 g/mol
Monoisotopic Mass	432.10564683 g/mol
Topological Polar Surface Area	177 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	690
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