MolPort-001-766-757

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Also known as: 489-84-9, 1,4-dimethyl-7-isopropylazulene, Vetivazulen, 7-isopropyl-1,4-dimethylazulene, Azulon, Kessazulen

Molecular Formula

C₁₅H₁₈

Molecular Weight

198.30 g/mol

InChI Key

FWKQNCXZGNBPFD-UHFFFAOYSA-N

FDA UNII

2OZ1K9JKQC

azulon is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms with data available.

1 2D Structure

MolPort-001-766-757

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,4-dimethyl-7-propan-2-ylazulene

2.1.2 InChI

InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

2.1.3 InChI Key

FWKQNCXZGNBPFD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C

2.2 Other Identifiers

2.2.1 UNII

2OZ1K9JKQC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Azulon

2. Guajazulene

2.3.2 Depositor-Supplied Synonyms

1. 489-84-9

2. 1,4-dimethyl-7-isopropylazulene

3. Vetivazulen

4. 7-isopropyl-1,4-dimethylazulene

5. Azulon

6. Kessazulen

7. Purazulen

8. Silazulon

9. Uroazulen

10. Azunol

11. S-guaiazulene

12. Eucazulen

13. Guajazulene

14. Guiazulene

15. Cuteazul

16. Gurjunazulen

17. Azulen-beris

18. Guaiazulen

19. 3,8-dimethyl-5-(2-propyl)azulene

20. Azulene, 1,4-dimethyl-7-(1-methylethyl)-

21. Vaumigan

22. 1,4-dimethyl-7-propan-2-ylazulene

23. 1,4-dimethyl-7-(1-methylethyl)azulene

24. Azulol

25. 1,4-dimethyl-7-(propan-2-yl)azulene

26. Eucazulene

27. Hepatoprotectant

28. Nsc 4714

29. Azulene, 7-isopropyl-1,4-dimethyl-

30. Az-8 Beris

31. Azunol (tn)

32. 7-isopropyl-1,4-dimethyl-azulene

33. Azulene, 1,4-dimethyl-7-isopropyl-

34. Nsc-4714

35. 2oz1k9jkqc

36. 1,3,5,7,9-guaiapentaene

37. Chebi:5550

38. 1,4-dimethyl-7-isopropyl-azulene

39. 1,4-dimethyl-7-isopropylazulene (jan)

40. Ncgc00095836-02

41. Dsstox_cid_25996

42. Dsstox_rid_81279

43. Dsstox_gsid_45996

44. Cas-489-84-9

45. 1,4-dimethyl-7-isopropylazulene [jan]

46. 7-isopropyl- 1,4-dimethylazulene

47. Einecs 207-701-2

48. Unii-2oz1k9jkqc

49. Brn 1365001

50. Guajazulen

51. Kessazulene

52. S-kessazulene

53. Guaiazulene, 99%

54. Mfcd00003811

55. Azulene,4-dimethyl-

56. Spectrum_001198

57. Guaiazulene [mi]

58. Spectrum2_001089

59. Spectrum3_001537

60. Spectrum4_000762

61. Spectrum5_001090

62. Guaiazulene [inci]

63. Guaiazulene [mart.]

64. Bspbio_002954

65. Guaiazulene [who-dd]

66. Kbiogr_001144

67. Kbioss_001678

68. 4-05-00-01751 (beilstein Handbook Reference)

69. Mls002207286

70. Divk1c_001006

71. Spectrum1502249

72. Spbio_001138

73. Az-8

74. 1,4-dimethyl-7-isopropylazulen

75. Chembl1408759

76. Dtxsid7045996

77. Hms503i13

78. Kbio1_001006

79. Kbio2_001678

80. Kbio2_004246

81. Kbio2_006814

82. Kbio3_002454

83. Azulene,4-dimethyl-7-isopropyl-

84. Nsc4714

85. Ninds_001006

86. 1, 4-dimethyl-7-isopropylazulene

87. Zinc968478

88. Hy-n6951

89. Tox21_111526

90. Bbl027440

91. Ccg-40099

92. S3995

93. Stk801958

94. Akos001082716

95. Tox21_111526_1

96. Db13329

97. Lmpr0103410006

98. Sdccgmls-0066686.p001

99. Wln: L57j B1 F1 Iy1&1

100. Idi1_001006

101. Azulene,4-dimethyl-7-(1-methylethyl)-

102. Ncgc00095836-01

103. Ncgc00095836-03

104. Ncgc00095836-05

105. Ncgc00178373-01

106. 1,4-dimethyl-7-(1-methylethyl)-azulene

107. As-13972

108. Smr001306801

109. Db-051592

110. Azulene, 7-isopropyl-1,4-dimethyl- (8ci)

111. Cs-0021588

112. Ft-0626818

113. G0228

114. 7-isopropyl-1,4-dimethyl-azulene;guaiazulene

115. 1,4-dimethyl-7-(1-methyl)-azulene (azulon)

116. 1,4-dimethyl-7-(1-methylethyl)azulene, 9ci

117. C09675

118. D01037

119. A827639

120. Sr-05000002441

121. Guaiazulene (constituent Of Chamomile) [dsc]

122. Q3026266

123. Sr-05000002441-1

124. Brd-k36719159-001-04-9

125. Z56347227

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈
Molecular Weight	198.30 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	198.140850574 g/mol
Monoisotopic Mass	198.140850574 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1