loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Thymoquinone

    DEVELOPMENTS

    PRICE INFORMATION

    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: 490-91-5, Thymoquinon, P-cymene-2,5-dione, 2-isopropyl-5-methyl-1,4-benzoquinone, P-mentha-3,6-diene-2,5-dione, 2,5-cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
    Molecular Formula
    C10H12O2
    Molecular Weight
    164.20  g/mol
    InChI Key
    KEQHJBNSCLWCAE-UHFFFAOYSA-N
    FDA UNII
    O60IE26NUF
    thymoquinone is a natural product found in Ayapana triplinervis, Tetraclinis articulata, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
    2.1.2 InChI
    InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
    2.1.3 InChI Key
    KEQHJBNSCLWCAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=O)C(=CC1=O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    O60IE26NUF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-isopropyl-5-methylbenzoquinone

    2. 2-methyl-5-isopropyl-p-benzoquinone

    3. Dihydrothymoquinone

    2.3.2 Depositor-Supplied Synonyms

    1. 490-91-5

    2. Thymoquinon

    3. P-cymene-2,5-dione

    4. 2-isopropyl-5-methyl-1,4-benzoquinone

    5. P-mentha-3,6-diene-2,5-dione

    6. 2,5-cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-

    7. 5-isopropyl-2-methyl-1,4-benzoquinone

    8. 2-isopropyl-5-methyl-p-benzoquinone

    9. 2-isopropyl-5-methylbenzoquinone

    10. 2-isopropyl-5-methylbenzo-1,4-quinone

    11. 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

    12. Nsc 2228

    13. 2-isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione

    14. 2-methyl-5-isopropyl-p-benzoquinone

    15. Nsc2228

    16. 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione

    17. Nsc-2228

    18. 2-methyl-5-isopropyl-1,4-benzoquinone

    19. O60ie26nuf

    20. 2,5-cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-

    21. 5-isopropyl-2-methyl-p-benzoquinone

    22. 2-methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione

    23. 5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione

    24. Polythymoquinone

    25. Ccris 7152

    26. Einecs 207-721-1

    27. Brn 1939047

    28. Thymolquinone

    29. Thymoil

    30. Ai3-17758

    31. 4hco

    32. Mfcd00001602

    33. P-mentha-3,5-dione

    34. Spectrum_001237

    35. Specplus_000457

    36. Thymoquinone, >=98%

    37. Spectrum2_000700

    38. Spectrum3_001345

    39. Spectrum4_001895

    40. Spectrum5_000550

    41. Unii-o60ie26nuf

    42. Bspbio_003129

    43. Kbiogr_002455

    44. Kbioss_001717

    45. Divk1c_006553

    46. Schembl542535

    47. Thymoquinone [who-dd]

    48. Spbio_000859

    49. Chembl1672002

    50. Dtxsid9060079

    51. Kbio1_001497

    52. Kbio2_001717

    53. Kbio2_004285

    54. Kbio2_006853

    55. Kbio3_002349

    56. Thymoquinone, Analytical Standard

    57. Chebi:113532

    58. 2-methyl-5-iso-propylbenzoquinone

    59. Bdbm166686

    60. Zinc164367

    61. Bcp16946

    62. Hy-d0803

    63. Wln: L6v Dvj B1 Ey1&1

    64. 2,4-dione, 5-isopropyl-2-methyl-

    65. Ccg-40027

    66. S4761

    67. Akos003368628

    68. Ncgc00178250-01

    69. Ncgc00178250-05

    70. As-11327

    71. P-mentha-3,6-diene-2,5-dione (8ci)

    72. 2-isopropyl-5-methylbenzo-1,4-quinone #

    73. 2,4-dione, 2-methyl-5-(1-methylethyl)-

    74. Cs-0012226

    75. Ft-0612708

    76. T0795

    77. T72517

    78. A827656

    79. Sr-05000002192

    80. Q7799650

    81. Sr-05000002192-2

    82. W-202869

    83. Brd-k97566842-001-03-5

    84. Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone

    85. 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (f8)

    86. 2-methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9ci

    87. Ethyl 2-hydroxy-5-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate;thymoquinon

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 164.20 g/mol
    Molecular Formula C10H12O2
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass164.083729621 g/mol
    Monoisotopic Mass164.083729621 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity293
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. It is able to induce apoptosis, regulate pro- and anti- apopotitic genes, and inhibit cancer metastasis through JNK and p38 activation. Its anti-inflammatory effects are attributed to its inhibition of inflammatory cytokines and processes, including pathways associated with 5-LO, COX, and PGD2.

    Post Enquiry
    POST ENQUIRY