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    Pongamol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 717Xls

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    2D Structure
    Also known as: 484-33-3, Lanceolatin c, 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione, 8y19qcy6i4, 1-(4-methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione, 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione
    Molecular Formula
    C18H14O4
    Molecular Weight
    294.3  g/mol
    InChI Key
    XTLSKKJNOIMMBK-UHFFFAOYSA-N
    FDA UNII
    8Y19QCY6I4
    pongamol is a natural product found in Derris ovalifolia, Millettia peguensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
    2.1.2 InChI
    InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
    2.1.3 InChI Key
    XTLSKKJNOIMMBK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    8Y19QCY6I4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pongamol

    2.3.2 Depositor-Supplied Synonyms

    1. 484-33-3

    2. Lanceolatin C

    3. 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione

    4. 8y19qcy6i4

    5. 1-(4-methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione

    6. 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione

    7. Bidd:er0486

    8. Starbld0009680

    9. Pongamol [inci]

    10. Unii-8y19qcy6i4

    11. Schembl900826

    12. Chembl4285296

    13. 1-(4-methoxy-5-benzofuranyl)-3-phenyl-1,3-propanedione

    14. Dtxsid50351019

    15. Lmpk12120373

    16. Zinc95615313

    17. Ft-0632198

    18. P2790

    19. Ec 414-540-3

    20. A827534

    21. A1-00787

    22. Q27271185

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 294.3 g/mol
    Molecular Formula C18H14O4
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass294.08920892 g/mol
    Monoisotopic Mass294.08920892 g/mol
    Topological Polar Surface Area56.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity413
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1