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

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    Antroquinonol

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    2D Structure
    1. Also known as: Hocena, Antroquinonol a, (+)-antroquinonol a, 1010081-09-0, (+)-antroquinonol, Ax9p92t7jz
    Molecular Formula
    C24H38O4
    Molecular Weight
    390.6  g/mol
    InChI Key
    LJTSIMVOOOLKOL-FNRDIUJOSA-N
    FDA UNII
    AX9P92T7JZ
    Antroquinonol Capsule is an orally available capsule containing antroquinonol, a farnesylated quinone derivative isolated from the mycelium of Antrodia camphorata, with potential antineoplastic activity. Upon oral administration, antroquinonol binds to and inhibits protein prenylation mediated by the enzymes farnesyltransferase (FTase) and geranylgeranyltransferase 1 (GGTase-1). This prevents both post-translational prenylation and signaling activity of a number of Ras superfamily proteins, such as Ras and Rho. This results in the inhibition of downstream signaling, such as the PI3K/mTOR signaling pathway, and induces apoptosis in susceptible tumor cells. Ras superfamily proteins are overexpressed in numerous cancer cell types, and play a key role in tumor cell proliferation and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5R,6R)-4-hydroxy-2,3-dimethoxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
    2.1.2 InChI
    InChI=1S/C24H38O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,19-20,22,26H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+/t19-,20-,22-/m1/s1
    2.1.3 InChI Key
    LJTSIMVOOOLKOL-FNRDIUJOSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(=C(C1=O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)C
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@H]([C@H](C(=C(C1=O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    AX9P92T7JZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (+)-antroquinonol A

    2. Antroquinonol A

    3. Antroquinonol D

    2.3.2 Depositor-Supplied Synonyms

    1. Hocena

    2. Antroquinonol A

    3. (+)-antroquinonol A

    4. 1010081-09-0

    5. (+)-antroquinonol

    6. Ax9p92t7jz

    7. Chebi:65415

    8. J3.387.174k

    9. Antroquinonol D

    10. (4r,5r,6r)-4-hydroxy-2,3-dimethoxy-6-methyl-5-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohex-2-en-1-one

    11. (4r,5r,6r)-4-hydroxy-2,3-dimethoxy-6-methyl-5-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohex-2-enone

    12. (4r,5r,6r)-4-hydroxy-2,3-dimethoxy-6-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohex-2-en-1-one

    13. 2-cyclohexen-1-one, 4-hydroxy-2,3-dimethoxy-6-methyl-5-((2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-, (4r,5r,6r)-

    14. Unii-ax9p92t7jz

    15. Antroquinonol [who-dd]

    16. Chembl3235620

    17. Schembl16919581

    18. Db12326

    19. Hy-19893

    20. Cs-0016956

    21. Q27133859

    22. (4r)-2,3-dimethoxy-4.alpha.-hydroxy-5.alpha.-((2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrienyl)-6.beta.-methyl-2-cyclohexene-1-one

    23. (4r)-2,3-dimethoxy-4alpha-hydroxy-5alpha-((2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrienyl)-6beta-methyl-2-cyclohexene-1-one

    24. (4r,5r,6r)-4-hydroxy-2,3-dimethoxy-6-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one

    2.4 Create Date
    2008-08-18
    3 Chemical and Physical Properties
    Molecular Weight 390.6 g/mol
    Molecular Formula C24H38O4
    XLogP35.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass390.27700969 g/mol
    Monoisotopic Mass390.27700969 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity648
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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