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    Cannabigerol

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    2D Structure
    Also known as: 25654-31-3, 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol, Chembl497318, Chebi:69477, Cannabigerol (cbg), J1k406072n
    Molecular Formula
    C21H32O2
    Molecular Weight
    316.5  g/mol
    InChI Key
    QXACEHWTBCFNSA-SFQUDFHCSA-N
    FDA UNII
    J1K406072N
    cannabigerol is a natural product found in Cannabis sativa and Helichrysum umbraculigerum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
    2.1.2 InChI
    InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
    2.1.3 InChI Key
    QXACEHWTBCFNSA-SFQUDFHCSA-N
    2.1.4 Canonical SMILES
    CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O
    2.1.5 Isomeric SMILES
    CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    J1K406072N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 25654-31-3

    2. 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol

    3. Chembl497318

    4. Chebi:69477

    5. Cannabigerol (cbg)

    6. J1k406072n

    7. 2808-33-5

    8. Cbg

    9. 1,3-benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (e)-

    10. Geranylolivetol

    11. Unii-j1k406072n

    12. Schembl144819

    13. Schembl14764730

    14. Gtpl11094

    15. Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-

    16. Dtxsid701014168

    17. (e)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol

    18. 1,3-benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-

    19. Bcp23754

    20. Ex-a5335

    21. Zinc4217650

    22. Bdbm50318487

    23. Akos024457386

    24. Db14734

    25. Cannabigerol (1.0 Mg/ml In Methanol)

    26. C20219

    27. Cannabigerol (cbg) 100 Microg/ml In Methanol

    28. F70893

    29. Cannabigerol (cbg) 1000 Microg/ml In Methanol

    30. Cannabigerol (cbg) 250 Microg/ml In Acetonitrile

    31. Q412122

    32. 2-(3,7-dimethyl-2,6-octadienyl)-5-pentylresorcinol

    33. (e)-2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-resorcinol

    34. 2-[(2e)-3,7-dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol

    35. 2-[(2e)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol

    36. (e)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol

    37. 2-[(2e)-3,7-dimethyl-2,6-octadienyl]-5-pentyl-1,3-benzenediol #

    38. 2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol

    39. Resorcinol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (e)-

    40. 1,3-benzenediol, 2-((2e)-3,7-dimethyl-2,6-octadien-1-yl)-5-pentyl-

    41. Cannabigerol Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 316.5 g/mol
    Molecular Formula C21H32O2
    XLogP37.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count9
    Exact Mass316.240230259 g/mol
    Monoisotopic Mass316.240230259 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity367
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1