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    Chemistry

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    Also known as: 1143-70-0, 3,8-dihydroxy-6h-benzo[c]chromen-6-one, 3,8-dihydroxyurolithin, 3,8-dihydroxybenzo[c]chromen-6-one, 3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one, 6h-dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-
    Molecular Formula
    C13H8O4
    Molecular Weight
    228.20  g/mol
    InChI Key
    RIUPLDUFZCXCHM-UHFFFAOYSA-N
    FDA UNII
    ILJ8NEF6DT
    Urolithin A
    urolithin A is a natural product found in Punica granatum and Trogopterus xanthipes with data available.
    1 2D Structure

    Urolithin A

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,8-dihydroxybenzo[c]chromen-6-one
    2.1.2 InChI
    InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
    2.1.3 InChI Key
    RIUPLDUFZCXCHM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
    2.2 Other Identifiers
    2.2.1 UNII
    ILJ8NEF6DT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one

    2.3.2 Depositor-Supplied Synonyms

    1. 1143-70-0

    2. 3,8-dihydroxy-6h-benzo[c]chromen-6-one

    3. 3,8-dihydroxyurolithin

    4. 3,8-dihydroxybenzo[c]chromen-6-one

    5. 3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one

    6. 6h-dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-

    7. 3,8-hydroxydibenzo-alpha-pyrone

    8. Ilj8nef6dt

    9. 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one

    10. Mfcd20275235

    11. 6h-dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-

    12. Uro-a

    13. 3,8-dihydroxybenzo(c)chromen-6-one

    14. Urolithin-a

    15. Unii-ilj8nef6dt

    16. 3,8-dihydroxy-urolithin

    17. Schembl803408

    18. Chembl1836264

    19. Dtxsid40150694

    20. Chebi:168442

    21. Urolithin A, >=97% (hplc)

    22. Ex-a4345

    23. S5312

    24. Zinc13484727

    25. Akos028108778

    26. Ccg-266776

    27. Cs-6305

    28. Db15464

    29. Ac-31959

    30. Ds-19328

    31. Sy070232

    32. Db-122496

    33. Hy-100599

    34. Ft-0778244

    35. Y10574

    36. A901528

    37. J-003086

    38. Q15634120

    39. 2-biphenylcarboxylic Acid, 2',4,4'-trihydroxy-, Delta-lactone

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 228.20 g/mol
    Molecular Formula C13H8O4
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass228.04225873 g/mol
    Monoisotopic Mass228.04225873 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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