Also known as: Formononetin glucoside, 486-62-4, Formononetin 7-o-glucoside, Ononoside, 4'-methoxyisoflavone-7-o-beta-d-glucopyranoside, Formononetin-7-o-glucoside

Molecular Formula

C₂₂H₂₂O₉

Molecular Weight

430.4 g/mol

InChI Key

MGJLSBDCWOSMHL-MIUGBVLSSA-N

FDA UNII

Z0Z637970U

ononin is a natural product found in Cicer chorassanicum, Thermopsis lanceolata, and other organisms with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1

2.1.3 InChI Key

MGJLSBDCWOSMHL-MIUGBVLSSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

2.1.5 Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

2.2 Other Identifiers

2.2.1 UNII

Z0Z637970U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Calycosin-7-o-beta-d-glucoside

2.3.2 Depositor-Supplied Synonyms

1. Formononetin Glucoside

2. 486-62-4

3. Formononetin 7-o-glucoside

4. Ononoside

5. 4'-methoxyisoflavone-7-o-beta-d-glucopyranoside

6. Formononetin-7-o-glucoside

7. Formononetin-7-o-beta-d-glucopyranoside

8. Chebi:7775

9. Z0z637970u

10. 3-(4-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

11. 3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl Beta-d-glucopyranoside

12. Mfcd03225479

13. Formononetin 7-o-beta-d-glucopyranoside

14. 3-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one

15. Unii-z0z637970u

16. Ononin [usp-rs]

17. Ononin [mi]

18. Fomononetin-7-o-glucoside

19. Mls002473151

20. Schembl240476

21. Chembl465980

22. Megxp0_000395

23. 7beta-(glucosyloxy)formonometin

24. Formononetin 7-o-beta-glucoside

25. Acon1_000463

26. Dtxsid70964089

27. Hms2225h24

28. Ononin, >=99.0% (tlc)

29. Hy-n0270

30. Zinc1081322

31. Bdbm50409313

32. S9113

33. Formononetin 7-o-b-d-glucopyranoside

34. Akos037514760

35. Ccg-269009

36. Cs-3719

37. Ncgc00169054-01

38. As-72370

39. Smr001397243

40. Formononetin 7-o-.beta.-d-glucoside

41. N1902

42. Ononin (constituent Of Astragalus) [dsc]

43. Formononetin 7-o-.beta.-d-glucopyranoside

44. Q7094502

45. Brd-k86699891-001-01-1

46. Ononin, United States Pharmacopeia (usp) Reference Standard

47. 7-(.beta.-glucosyloxy)-3-(4-methoxyphenyl)isoflavone

48. 7-hydroxy-4'-methoxyisoflavone-7-o-.beta.-d-glucoside

49. 3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl .beta.-d-glucopyranoside

50. 4h-1-benzopyran-4-one, 7-(beta-d-glucopyranosyloxy)-3-(4-methoxyphenyl)-

51. 3-(4-methoxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₂O₉
Molecular Weight	430.4 g/mol
XLogP3	1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	430.12638228 g/mol
Monoisotopic Mass	430.12638228 g/mol
Topological Polar Surface Area	135 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	659
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

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Ononin

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