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Chemistry

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Also known as: 6-gingerol, 23513-14-6, [6]-gingerol, (6)-gingerol, (s)-(+)-[6]gingerol, (s)-(6)-gingerol

Molecular Formula

C₁₇H₂₆O₄

Molecular Weight

294.4 g/mol

InChI Key

NLDDIKRKFXEWBK-AWEZNQCLSA-N

FDA UNII

925QK2Z900

gingerol is a natural product found in Illicium verum, Piper nigrum, and other organisms with data available.

1 2D Structure

Gingerol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

2.1.2 InChI

InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

2.1.3 InChI Key

NLDDIKRKFXEWBK-AWEZNQCLSA-N

2.1.4 Canonical SMILES

CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

2.1.5 Isomeric SMILES

CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O

2.2 Other Identifiers

2.2.1 UNII

925QK2Z900

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (6)-gingerol

2. 10-gingerol

3. 6-gingerol

2.3.2 Depositor-Supplied Synonyms

1. 6-gingerol

2. 23513-14-6

3. [6]-gingerol

4. (6)-gingerol

5. (s)-(+)-[6]gingerol

6. (s)-(6)-gingerol

7. (s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

8. (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

9. 1391-73-7

10. 3-decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5s)-

11. (+)-[6]-gingerol

12. (+)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone

13. Chembl402978

14. (5s)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one

15. Chebi:10136

16. 925qk2z900

17. (s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone

18. 3-decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (s)-

19. Bdbm50317427

20. (5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone

21. 5-hydroxy-1-(4'-hydroxy-3'-methoxyphenyl)-3-decanone

22. 3-decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (s)-(+)-

23. Unii-925qk2z900

24. Mfcd00210507

25. C17-h26-o4

26. Cbiol_001786

27. Schembl32102

28. Bspbio_001347

29. Kbiogr_000067

30. Kbioss_000067

31. (6)-gingerol [mi]

32. Chembl446043

33. Gtpl2428

34. Dtxsid3041035

35. Kbio2_000067

36. Kbio2_002635

37. Kbio2_005203

38. Kbio3_000133

39. Kbio3_000134

40. Bio1_000072

41. Bio1_000561

42. Bio1_001050

43. Bio2_000067

44. Bio2_000547

45. Hms1361d09

46. Hms1791d09

47. Hms1989d09

48. Hms3402d09

49. Srcg-00265

50. [6]-gingerol, Analytical Standard

51. Zinc1531846

52. Bdbm50275147

53. Ca-422

54. S3836

55. [6]-gingerol, >=98% (hplc)

56. Akos015888215

57. Ccg-208033

58. Ccg-208214

59. Cs-6333

60. Idi1_033817

61. Ncgc00163131-01

62. Ncgc00163131-02

63. Ncgc00163131-03

64. Ac-33934

65. Ds-12369

66. Hy-14615

67. N1353

68. C10462

69. 513g146

70. 6-gingerol (constituent Of Ginger) [dsc]

71. A816759

72. Q421081

73. Sr-05000002341

74. Q-100300

75. Sr-05000002341-2

76. W-205525

77. Brd-k26117720-001-02-2

78. (s)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl-3-decanone

79. [1-(4''-hydroxy-3''-methoxyphenyl)-5-hydroxy-3-decanone]

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₆O₄
Molecular Weight	294.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	294.18310931 g/mol
Monoisotopic Mass	294.18310931 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1