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    Technical details about Irisquinone, learn more about the structure, uses, toxicity, action, side effects and more

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    Irisquinone

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 56495-82-0, Irisquinone a, 2-[(z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione, Gw0p1vs52w, 2-[10(z)-heptadecenyl]-6-methoxy-1,4-benzoquinone, Pallasone
    Molecular Formula
    C24H38O3
    Molecular Weight
    374.6  g/mol
    InChI Key
    YYCCUFKHCNSRIA-HJWRWDBZSA-N
    FDA UNII
    GW0P1VS52W
    irisquinone is a natural product found in Iris pallasii, Iris sanguinea, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
    2.1.2 InChI
    InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8-
    2.1.3 InChI Key
    YYCCUFKHCNSRIA-HJWRWDBZSA-N
    2.1.4 Canonical SMILES
    CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC
    2.1.5 Isomeric SMILES
    CCCCCC/C=C\CCCCCCCCCC1=CC(=O)C=C(C1=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    GW0P1VS52W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-methoxy-2-(10-heptadecenyl)-1,4-benzoquinone

    2.3.2 Depositor-Supplied Synonyms

    1. 56495-82-0

    2. Irisquinone A

    3. 2-[(z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione

    4. Gw0p1vs52w

    5. 2-[10(z)-heptadecenyl]-6-methoxy-1,4-benzoquinone

    6. Pallasone

    7. Unii-gw0p1vs52w

    8. Brn 2005301

    9. Nsc614642

    10. Iq-7611

    11. 6-methoxy-2-delta(sup 10')-cis-heptadecenyl-1,4-benzoquinone

    12. Irisquinone [who-dd]

    13. Chembl461167

    14. Schembl13246144

    15. Dtxsid401318175

    16. Zinc8214419

    17. 2,5-cyclohexadiene-1,4-dione, 2-(10-heptadecenyl)-6-methoxy-, (z)-

    18. Nsc-614642

    19. 2,4-dione, 2-(10-heptadecenyl)-6-methoxy-, Z-

    20. Q27279311

    21. 2,5-cyclohexadiene-1,4-dione, 2-(10z)-10-heptadecen-1-yl-6-methoxy-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 374.6 g/mol
    Molecular Formula C24H38O3
    XLogP38.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count16
    Exact Mass374.28209507 g/mol
    Monoisotopic Mass374.28209507 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity526
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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