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    Soberol

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    2D Structure
    Also known as: 498-71-5, 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-enol, Soberol, Sobrepin, 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol, 5-hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
    Molecular Formula
    C10H18O2
    Molecular Weight
    170.25  g/mol
    InChI Key
    OMDMTHRBGUBUCO-UHFFFAOYSA-N
    trans-p-menth-6-ene-2,8-diol is a natural product found in Cyperus with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
    2.1.2 InChI
    InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3
    2.1.3 InChI Key
    OMDMTHRBGUBUCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CCC(CC1O)C(C)(C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1-methyl-4-(2-hydroxyisopropyl)cyclohex-1,2-en-6-ol

    2. 1-methyl-alpha-hydroxyisopropylcyclohexenol-6

    3. Sobrepin

    4. Sobrerol, (+-)-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. 498-71-5

    2. 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-enol

    3. Soberol

    4. Sobrepin

    5. 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

    6. 5-hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol

    7. (+/-)-1-hydroxyisodihydrocarveol

    8. Pinol Hydrate

    9. Pinolhydrat

    10. 6,8-carvomenthenediol; Nsc 408849; Pinol Hydrate; Sobrepin

    11. Cyclidrol

    12. D,l-trans-sobrerol; Dl-sobrerol; Trans-6-hydroxy-alpha-terpineol

    13. 1,2-cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1alpha,2alpha,4beta)- (9ci); 1,2-cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1alpha,2alpha,4beta)-(+/-)-

    14. Ccris 7135

    15. 6,8-carvomenthendiol

    16. 42370-41-2

    17. Einecs 207-868-1

    18. Ai3-23138

    19. Mucoflux (tn)

    20. Sobrepin (tn)

    21. Nciopen2_000885

    22. Oprea1_276529

    23. Schembl1649171

    24. Chembl2228862

    25. Dtxsid90871701

    26. Chebi:134802

    27. (1s)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

    28. Nsc43652

    29. Nsc74541

    30. 3-cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-

    31. 3-cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (+/-)

    32. Nsc-43652

    33. Nsc-74541

    34. Nsc408849

    35. Akos006230491

    36. P-menth-6-ene-2,8-diol, ( )-

    37. Nsc-408849

    38. Db-050902

    39. Ft-0630625

    40. D08520

    41. 6,8-carvomenthenedioll-p-methene-6,8-diolpinol Hydrate

    42. 5-hydroxy-.alpha.,.alpha.,4-trimethyl-3-cyclohexene-1-methanol

    43. 3-cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-, Trans-( )-

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.25 g/mol
    Molecular Formula C10H18O2
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass170.130679813 g/mol
    Monoisotopic Mass170.130679813 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity194
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Expectorants

    Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here. (See all compounds classified as Expectorants.)

    4.2 ATC Code

    R - Respiratory system

    R05 - Cough and cold preparations

    R05C - Expectorants, excl. combinations with cough suppressants

    R05CB - Mucolytics

    R05CB07 - Sobrerol