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    Chemistry

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    Also known as: 84696-15-1, (e)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one
    Molecular Formula
    C35H52O6
    Molecular Weight
    568.8  g/mol
    InChI Key
    QCVRFSPGUWEKFC-ILHSMLOTSA-N
    Ginger extract
    Ginger Extract is an extract of the rhizome of the perennial plant Zingiber officinale with potential antineoplastic activity. Ginger extract contains a number of different phenolic compounds, some of which have displayed antineoplastic, anti-inflammatory, and antioxidant activities. This agent also exhibits antiemetic properties.
    1 2D Structure

    Ginger extract

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one
    2.1.2 InChI
    InChI=1S/C18H28O3.C17H24O3/c1-4-5-6-7-14(2)12-16(19)10-8-15-9-11-17(20)18(13-15)21-3;1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h9,11,13-14,20H,4-8,10,12H2,1-3H3;7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b;8-7+
    2.1.3 InChI Key
    QCVRFSPGUWEKFC-ILHSMLOTSA-N
    2.1.4 Canonical SMILES
    CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC
    2.1.5 Isomeric SMILES
    CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ginger Rhizome

    2. Ginger Root

    3. Rhizoma Zingiberis

    4. Rhizoma Zingiberis Recens

    5. Zingiberis Rhizoma

    6. Zingiberis Rhizoma Praeparatum

    7. Zingiberis Siccatum Rhizoma

    2.2.2 Depositor-Supplied Synonyms

    1. 84696-15-1

    2. (e)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one

    2.3 Create Date
    2006-06-06
    3 Chemical and Physical Properties
    Molecular Weight 568.8 g/mol
    Molecular Formula C35H52O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count19
    Exact Mass568.37638937 g/mol
    Monoisotopic Mass568.37638937 g/mol
    Topological Polar Surface Area93.1 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity589
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    05-Feb-2021
    16-May-2023
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