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2D Structure
Also known as: 134-04-3, Pelargonidin, Pelargonidin (chloride), 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride, Pelargonidol chloride, Pelargonidinchloride
Molecular Formula
C15H11ClO5
Molecular Weight
306.70  g/mol
InChI Key
YPVZJXMTXCOTJN-UHFFFAOYSA-N
FDA UNII
DFL6200791

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride
2.1.2 InChI
InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
2.1.3 InChI Key
YPVZJXMTXCOTJN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
DFL6200791
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium

2. 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium Chloride

3. Pelargonidin

4. Pelargonidine

2.3.2 Depositor-Supplied Synonyms

1. 134-04-3

2. Pelargonidin

3. Pelargonidin (chloride)

4. 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium Chloride

5. Pelargonidol Chloride

6. Pelargonidinchloride

7. 3,4',5,7-tetrahydroxyflavylium Chloride

8. 3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium Chloride

9. Chebi:28510

10. 1-benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, Chloride

11. 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride

12. Dfl6200791

13. 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium Chloride

14. Chembl591036

15. Unii-dfl6200791

16. Einecs 205-127-7

17. Mfcd00017589

18. 3,4',5,7-tetrahydroxy-2-phenylbenzopyrylium Chloride

19. Pelargonidin(chloride)

20. Pelargonidin [mi]

21. Schembl20591

22. Pelargonidin;pelargonidol Chloride

23. Dtxsid001020859

24. Bcp24005

25. Cs-w012086

26. Hy-w011370

27. Ac-34446

28. Ls-14367

29. Db-042216

30. Ft-0631777

31. 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol

32. A806724

33. J-006474

34. Q27103746

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 306.70 g/mol
Molecular Formula C15H11ClO5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass306.0295011 g/mol
Monoisotopic Mass306.0295011 g/mol
Topological Polar Surface Area81.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2