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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 552-58-9, Eriodictiol, (+)-eriodictyol, (s)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone, (s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one, (s)-eriodictyol

Molecular Formula

C₁₅H₁₂O₆

Molecular Weight

288.25 g/mol

InChI Key

SBHXYTNGIZCORC-ZDUSSCGKSA-N

FDA UNII

Q520486B8Y

eriodictyol is a natural product found in Eutrochium fistulosum, Eupatorium album, and other organisms with data available.

1 2D Structure

Eriodictyol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

2.1.2 InChI

InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1

2.1.3 InChI Key

SBHXYTNGIZCORC-ZDUSSCGKSA-N

2.1.4 Canonical SMILES

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

2.1.5 Isomeric SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

2.2 Other Identifiers

2.2.1 UNII

Q520486B8Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 552-58-9

2. Eriodictiol

3. (+)-eriodictyol

4. (s)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone

5. (s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one

6. (s)-eriodictyol

7. Chembl8996

8. Huazhongilexone

9. (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

10. Chebi:28412

11. (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one

12. Q520486b8y

13. Eriodicryol

14. Eryodictiol

15. Unii-q520486b8y

16. Nsc-649412

17. Einecs 209-016-4

18. Nsc 649412

19. Eriodictyol - 98%

20. Eriodictyol With Hplc

21. Eriodictyol [mi]

22. Eriodictyol [inci]

23. Schembl19180

24. Eriodictyol, Analytical Standard

25. Zinc58117

26. Dtxsid70877706

27. 3' 4' 5 7-tetrahydroxyflavanone

28. 5,7,3'',4''-tetrahydroxyflavon

29. Bcp13401

30. Hy-n0637

31. Eriodictyol, >=95.0% (hplc)

32. Bdbm50325671

33. Lmpk12140002

34. Mfcd00135890

35. S9123

36. 5,7,3'',4''-tetrahydroxyflavanone

37. Akos025311577

38. Ac-6043

39. Ccg-267356

40. (2s)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4h-1-benzopyran-4-one

41. (s)-3',4',5,7-tetrahydroxyflavanone

42. As-72316

43. Cs-0009666

44. N2309

45. C05631

46. 552e589

47. A830557

48. Q-100627

49. Q3459685

50. (s)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-4-one

51. (s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

52. (2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-4-one

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₂O₆
Molecular Weight	288.25 g/mol
XLogP3	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	288.06338810 g/mol
Monoisotopic Mass	288.06338810 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	400
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1