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Chemistry

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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
thymoquinone is a natural product found in Ayapana triplinervis, Tetraclinis articulata, and other organisms with data available.
1 2D Structure

Thymoquinone

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.


ABOUT THIS PAGE

Thymoquinone Manufacturers

A Thymoquinone manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Thymoquinone, including repackagers and relabelers. The FDA regulates Thymoquinone manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Thymoquinone API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Thymoquinone Suppliers

A Thymoquinone supplier is an individual or a company that provides Thymoquinone active pharmaceutical ingredient (API) or Thymoquinone finished formulations upon request. The Thymoquinone suppliers may include Thymoquinone API manufacturers, exporters, distributors and traders.

Thymoquinone GMP

Thymoquinone Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Thymoquinone GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Thymoquinone GMP manufacturer or Thymoquinone GMP API supplier for your needs.

Thymoquinone CoA

A Thymoquinone CoA (Certificate of Analysis) is a formal document that attests to Thymoquinone's compliance with Thymoquinone specifications and serves as a tool for batch-level quality control.

Thymoquinone CoA mostly includes findings from lab analyses of a specific batch. For each Thymoquinone CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Thymoquinone may be tested according to a variety of international standards, such as European Pharmacopoeia (Thymoquinone EP), Thymoquinone JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Thymoquinone USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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