Also known as: 643-84-5, Syringidin, Primulidin, Enidin, Syringidin chloride, Malvidol

Molecular Formula

C₁₇H₁₅ClO₇

Molecular Weight

366.7 g/mol

InChI Key

KQIKOUUKQBTQBE-UHFFFAOYSA-N

FDA UNII

GL5KGZ4D8U

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride

2.1.2 InChI

InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H

2.1.3 InChI Key

KQIKOUUKQBTQBE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

GL5KGZ4D8U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,5,7,4'-tetrahydroxy-3',5'-dimethoxyflavylium

2. Malvidin

2.3.2 Depositor-Supplied Synonyms

1. 643-84-5

2. Syringidin

3. Primulidin

4. Enidin

5. Syringidin Chloride

6. Malvidol

7. Malvinidin

8. Oenidin

9. Malvinidol Chloride

10. Malvidin (chloride)

11. 3,4',5,7-tetrahydroxy-3',5'-dimethoxyflavylium Chloride

12. Malvidinchloride

13. Gl5kgz4d8u

14. Nsc-94526

15. 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride

16. Einecs 211-403-8

17. Unii-gl5kgz4d8u

18. Nsc 94526

19. 1-benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Chloride

20. Mfcd00017585

21. Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, Chloride

22. 3,4',5,7-tetrahydroxy-2',5'-dimethoxy-2-phenylbenzopyrylium Chloride

23. Schembl308690

24. Malvidin Chloride [mi]

25. Chembl592005

26. Nsc94526

27. Bdbm50276155

28. Malvidin Chloride, Analytical Standard

29. 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyryliumchloride

30. 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium Chloride (1:1)

31. Malvidin Chloride, >=95.0% (hplc)

32. As-78650

33. Db-054647

34. Hy-122496

35. Cs-0085838

36. Ft-0632733

37. 3,5,7-tetrahydroxy-3',5'-dimethoxyflavylium Chloride

38. Wln: T66 Boj Cr Dq Co1 Eo1& Dq Gq Iq &g

39. Flavylium,4',5,7-tetrahydroxy-3',5'-dimethoxy-, Chloride

40. 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium Chloride

41. 1-benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Chloride

42. 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-2-phenylbenzopyrylium Chloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅ClO₇
Molecular Weight	366.7 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	366.0506305 g/mol
Monoisotopic Mass	366.0506305 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Malvinidol Chloride

Malvinidol Chloride

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