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MolPort-001-790-546

MolPort-001-790-546

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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

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

MolPort-001-790-546

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 Formula	C₄₀H₅₆
Molecular Weight	536.9 g/mol
XLogP3	15.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	16
Exact Mass	536.438201786 g/mol
Monoisotopic Mass	536.438201786 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	11
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)

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