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    Grape Seed Extract

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 64Xls

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    2D Structure
    Also known as: 84929-27-1, (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2h-chromene-3,5,7-triol, Grape seed p.e., Grape,red, ext., Ccg-270162, As-83774
    Molecular Formula
    C32H30O11
    Molecular Weight
    590.6  g/mol
    InChI Key
    VWKAFYWVDIOMSL-PMFFMQSYSA-N
    Exudate from seeds of the grape plant Vitis vinifera, composed of oils and secondary plant metabolites (BIOFLAVONOIDS and polyphenols) credited with important medicinal properties.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
    2.1.2 InChI
    InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3/t27-,28-,29+,31+,32+/m0/s1
    2.1.3 InChI Key
    VWKAFYWVDIOMSL-PMFFMQSYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C2=C1CC(C(O2)C3=CC(=C(C=C3)O)O)(C)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=C(C2=C1C[C@@]([C@H](O2)C3=CC(=C(C=C3)O)O)(C)O)[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Extract, Grape Seed

    2. Seed Extract, Grape

    2.2.2 Depositor-Supplied Synonyms

    1. 84929-27-1

    2. (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2h-chromene-3,5,7-triol

    3. Grape Seed P.e.

    4. Grape,red, Ext.

    5. Ccg-270162

    6. As-83774

    2.3 Create Date
    2014-10-15
    3 Chemical and Physical Properties
    Molecular Weight 590.6 g/mol
    Molecular Formula C32H30O11
    XLogP33.3
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count3
    Exact Mass590.17881177 g/mol
    Monoisotopic Mass590.17881177 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity970
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Phytogenic

    Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)