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    omega-Hydroxyemodin

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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 Weight 286.24 g/mol
    Molecular Formula C15H10O6
    XLogP31.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass286.04773803 g/mol
    Monoisotopic Mass286.04773803 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity449
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1