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Also known as: Omega-hydroxyemodin, 481-73-2, 1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione, .omega.-hydroxyemodin, 1,3,8-trihydroxy-6-hydroxymethylanthraquinone, W-hydroxyemodin

Molecular Formula

C₁₅H₁₀O₆

Molecular Weight

286.24 g/mol

InChI Key

YQHZABGPIPECSQ-UHFFFAOYSA-N

FDA UNII

O2H2Z421AP

citreorosein is a natural product found in Rumex nepalensis, Rumex cristatus, and other organisms with data available.

1 2D Structure

omega-Hydroxyemodin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione

2.1.2 InChI

InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2

2.1.3 InChI Key

YQHZABGPIPECSQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO

2.2 Other Identifiers

2.2.1 UNII

O2H2Z421AP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,3,8-trihydroxy-6-hydroxymethylanthraquinone

2. Omega-hydroxyemodin

2.3.2 Depositor-Supplied Synonyms

1. Omega-hydroxyemodin

2. 481-73-2

3. 1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione

4. .omega.-hydroxyemodin

5. 1,3,8-trihydroxy-6-hydroxymethylanthraquinone

6. W-hydroxyemodin

7. 9,10-anthracenedione, 1,3,8-trihydroxy-6-(hydroxymethyl)-

8. Chebi:81348

9. 1,3,8-trihydroxy-6-(hydroxymethyl)anthra-9,10-quinone

10. Chembl290932

11. O2h2z421ap

12. Nsc624612

13. Nsc-624612

14. 1,3,8-trihydroxy-6-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione

15. Anthraquinone, 1,3,8-trihydroxy-6-(hydroxymethyl)-hydroxyemodin; Nsc 624612; Omega-hydroxyemodin

16. Ccris 1319

17. Unii-o2h2z421ap

18. Hydroxyemodin

19. Hydroxyemodin, .omega.-

20. Schembl18048123

21. Acon1_001349

22. Gtpl11005

23. Dtxsid60197420

24. Zinc5812872

25. Bdbm50020376

26. Akos028108661

27. Ncgc00180600-01

28. C17810

29. F21513

30. 3-(4-tert-butyl-phenoxy)-benzyl-hydrazine

31. Brd-k95337480-001-01-4

32. Q27155287

33. 1,3,8-trihydroxy-6-(hydroxymethyl)anthraquinone

34. 1,3,8-trihydroxy-6-(hydroxymethyl)-9,10-anthracenedione

35. Anthraquinone, 1,3,8-trihydroxy-6-(hydroxymethyl)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₀O₆
Molecular Weight	286.24 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	286.04773803 g/mol
Monoisotopic Mass	286.04773803 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	449
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	1

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