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    2D Structure
    Also known as: Chembl497392, Hu-308, Hu308, Ls-193061, Gtpl746, Bdbm50265621
    Molecular Formula
    C27H42O3
    Molecular Weight
    414.6  g/mol
    InChI Key
    CFMRIVODIXTERW-FDFHNCONSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,4S,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
    2.1.2 InChI
    InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1
    2.1.3 InChI Key
    CFMRIVODIXTERW-FDFHNCONSA-N
    2.1.4 Canonical SMILES
    CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2C=C(C3CC2C3(C)C)CO)OC
    2.1.5 Isomeric SMILES
    CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@H]2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bicyclo(3.1.1)hept-2-ene-2-methanol, 4-(4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl)-6,6-dimethyl-, (1r,4s,5r)-

    2. Hu 308

    3. Hu 433

    4. Hu-308

    5. Hu308

    2.2.2 Depositor-Supplied Synonyms

    1. Chembl497392

    2. Hu-308

    3. Hu308

    4. Ls-193061

    5. Gtpl746

    6. Bdbm50265621

    7. (1r,4s,5r)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol

    8. [(1r,2s,5r)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 414.6 g/mol
    Molecular Formula C27H42O3
    XLogP37.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count10
    Exact Mass414.31339520 g/mol
    Monoisotopic Mass414.31339520 g/mol
    Topological Polar Surface Area38.7 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity579
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    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

    Cannabinoid Receptor Agonists

    Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS. (See all compounds classified as Cannabinoid Receptor Agonists.)