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Chemistry

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Also known as: 502-65-8, All-trans-lycopene, Psi,psi-carotene, Trans-lycopene, Lycopene 7, Lycored
Molecular Formula
C40H56
Molecular Weight
536.9  g/mol
InChI Key
OAIJSZIZWZSQBC-GYZMGTAESA-N
FDA UNII
SB0N2N0WV6

Lycopene
A carotenoid and red pigment produced by tomatoes, other red fruits and vegetables, and photosynthetic algae. It is a key intermediate in the biosynthesis of other carotenoids, and has antioxidant, anti-carcinogenic, radioprotective, and anti-inflammatory properties.
1 2D Structure

Lycopene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
2.1.2 InChI
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
2.1.3 InChI Key
OAIJSZIZWZSQBC-GYZMGTAESA-N
2.1.4 Canonical SMILES
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
2.1.5 Isomeric SMILES
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
2.2 Other Identifiers
2.2.1 UNII
SB0N2N0WV6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. All Trans Lycopene

2. All-trans-lycopene

3. Lyc O Mato

4. Lyc-o-mato

5. Lycomato

6. Lycopene, (13-cis)-isomer

7. Lycopene, (7-cis,7'-cis,9-cis,9'-cis)-isomer -

8. Lycopene, (cis)-isomer

9. Pro Lycopene

10. Pro-lycopene

11. Prolycopene

2.3.2 Depositor-Supplied Synonyms

1. 502-65-8

2. All-trans-lycopene

3. Psi,psi-carotene

4. Trans-lycopene

5. Lycopene 7

6. Lycored

7. Redivivo

8. Mexoryl Saq

9. Tomat-o-red

10. (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

11. (all-trans)-lycopene

12. Tomato Lycopene

13. Lycopene, All-trans-

14. Ateronon

15. Aec Lycopene

16. Ci 75125

17. Blakeslea Trispora

18. (all-e)-lycopene

19. Nsc 407322

20. C.i. 75125

21. Sb0n2n0wv6

22. Ins-160d(iii)

23. Ins No.160d(iii)

24. Lycopene From Blakeslea Trispora

25. Fema No. 4110

26. Chebi:15948

27. E-160d(iii)

28. Nsc-407322

29. Ncgc00166291-01

30. .psi.,.psi.-carotene

31. (all-e)-2,6,10,14,19,23,27,31-octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene

32. Lycopene (van)

33. Cis-lycopene

34. Lyc-o-mato

35. Mfcd00017350

36. Lyc

37. Ccris 7925

38. Einecs 207-949-1

39. Unii-sb0n2n0wv6

40. Lyocpenepowder

41. Nsc407322

42. Psi-psi-carotene

43. Y,y-carotene

44. Lyco Vit

45. Lycopene Preparation

46. Lycopene All-trans-

47. Lycopene [inci]

48. Lycopene [mi]

49. Lycopene [vandf]

50. Lycopene [mart.]

51. Lycopene [who-dd]

52. Dsstox_cid_26593

53. Dsstox_rid_81750

54. Dsstox_gsid_46593

55. Bspbio_003389

56. Lycopene, Analytical Standard

57. E160d

58. Tomato Lycopene [fhfi]

59. Chembl501174

60. Dtxsid2046593

61. Lycopene, >=90%, From Tomato

62. Ci 75125 [inci]

63. Act03296

64. Hy-n0287

65. Lycopene Extract From Tomato

66. Zinc8214943

67. Tox21_112395

68. Lmpr01070257

69. S3943

70. Lycopene Preparation [usp-rs]

71. Akos015961276

72. Cs-6378

73. Db11231

74. Fd10111

75. Ncgc00166291-02

76. Ncgc00166291-03

77. Ncgc00166291-04

78. Ac-13571

79. Ac-33932

80. Cas-502-65-8

81. Ls-15428

82. Lycopene, >=98% (hplc), From Tomato

83. Lycopene Extract From Tomato [fcc]

84. L0257

85. N2800

86. Lycopene From Blakeslea Trispora [fcc]

87. C05432

88. 502l658

89. Q208130

90. Q-100561

91. Lycopene, United States Pharmacopeia (usp) Reference Standard

92. Lycopene, Pharmaceutical Secondary Standard; Certified Reference Material

93. Lycopene, Redivivo(tm), 10% Fs, ~10% In Corn Oil, >=95.0% (sum Of Isomers)

94. (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene

95. (all-e)-lycopene (constituent Of Lycopene And Tomato Extract Containing Lycopene) [dsc]

96. 2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-

97. 2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-e)-

98. Lyc, Lycopene, Lycopene 7, Lycopene All-trans-, Lycopene, All-trans-, Lycopene, All-trans- (8ci), Lycopene (van), Natural Yellow 27, Ncgc00166291-01, Ncgc00166291-02, Nsc407322, Nsc 407322

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 536.9 g/mol
Molecular Formula C40H56
XLogP315.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Exact Mass536.438201786 g/mol
Monoisotopic Mass536.438201786 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count11
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Radiation-Protective Agents

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)


Anti-Inflammatory Agents

Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)


Anticarcinogenic Agents

Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)


Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)


API Reference Price

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18-Jan-2021
17-Aug-2024
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