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CAS 87-51-4

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Also known as: 87-51-4, Indoleacetic acid, 3-indoleacetic acid, Heteroauxin, 1h-indole-3-acetic acid, 1h-indol-3-ylacetic acid

Molecular Formula

C₁₀H₉NO₂

Molecular Weight

175.18 g/mol

InChI Key

SEOVTRFCIGRIMH-UHFFFAOYSA-N

FDA UNII

6U1S09C61L

indole-3-acetate is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

CAS 87-51-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1H-indol-3-yl)acetic acid

2.1.2 InChI

InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

2.1.3 InChI Key

SEOVTRFCIGRIMH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

6U1S09C61L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1h-indole-3-acetic Acid

2. 3-indoleacetic Acid

3. 3-indolylacetic Acid

4. Beta-indoleacetic Acid

5. Heteroauxin

6. Ies Cpd

7. Indole Acetic Acid

8. Indoleacetate

9. Indoleacetic Acid

10. Indoleacetic Acid, Alpha-(14)c-labeled

11. Indoleacetic Acid, Calcium Salt

12. Indoleacetic Acid, Monopotassium Salt

13. Indoleacetic Acid, Monosodium Salt

14. Indolyl-3-acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 87-51-4

2. Indoleacetic Acid

3. 3-indoleacetic Acid

4. Heteroauxin

5. 1h-indole-3-acetic Acid

6. 1h-indol-3-ylacetic Acid

7. 2-(1h-indol-3-yl)acetic Acid

8. Rhizopin

9. Auxin

10. Rhizopon A

11. Indol-3-ylacetic Acid

12. 3-(carboxymethyl)indole

13. 3-indolylacetic Acid

14. Hexteroauxin

15. 3-iaa

16. Beta-indoleacetic Acid

17. Indoleacetate

18. Acetic Acid, Indolyl-

19. Iaa

20. Heteroauxinhexteroauxiniaa

21. Beta-indolylacetic Acid

22. Indolyl-3-acetic Acid

23. Indolylacetic Acid

24. Omega-skatole Carboxylic Acid

25. Kyselina 3-indolyloctova

26. (1h-indol-3-yl)-acetic Acid

27. Indoleacetic Acid (van)

28. (indol-3-yl)acetate

29. Ccris 1014

30. Epa Pesticide Chemical Code 128915

31. Kyselina 3-indolyloctova [czech]

32. (indol-3-yl)acetic Acid

33. Ai3-24131

34. 2-(3-indolyl)acetic Acid

35. Nsc 3787

36. 2-(indol-3-yl)ethanoic Acid

37. 3-indolylessigsaeure

38. .alpha.-iaa

39. .beta.-iaa

40. 3-indole Acetic Acid

41. 3-indole-acetic Acid

42. .beta.-indoleacetic Acid

43. Mfcd00005636

44. .beta.-indolylacetic Acid

45. .beta.-indole-3-acetic Acid

46. Chembl82411

47. (1h-indol-3-yl)acetic Acid

48. .omega.-skatole Carboxylic Acid

49. Dtxsid5020738

50. Chebi:16411

51. .alpha.-indol-3-yl-acetic Acid

52. Nsc3787

53. 6u1s09c61l

54. Nsc-3787

55. 3-indoleacetate

56. Dtxcid70738

57. (1h-indol-3-yl)acetate

58. Cas-87-51-4

59. Ies

60. Smr000471855

61. Indole 3-acetic Acid

62. 3-indolyl Acetic Acid

63. Einecs 201-748-2

64. Indolylacetate

65. B-indoleacetate

66. Unii-6u1s09c61l

67. B-indolylacetate

68. 3-indolylacetate

69. Alpha-iaa

70. Beta-indoleacetate

71. Beta-iaa

72. 1h-indole-3-acetic Acid (9ci)

73. Beta-indolylacetate

74. Indol-3-ylacetate

75. Indolyl-3-acetate

76. Skatole Carboxylate

77. B-indoleacetic Acid

78. Iac

79. B-indolylacetic Acid

80. Indole-3acetic Acid

81. 3-indolyl-acetic Acid

82. 1h-indole-3-acetate

83. Skatole Carboxylic Acid

84. Acid, 6

85. 2-(3-indolyl)acetate

86. Indole-3-acetic-t Acid

87. 1h-indol-3-acetic Acid

88. Maybridge1_006755

89. 1h-indole 3-acetic Acid

90. Beta-indole-3-acetic Acid

91. Bmse000177

92. (1h-indol-3-yl)-acetate

93. 3-indoleacetic Acid, 98%

94. 3-indoleacetic Acid, 99%

95. Oprea1_602123

96. Schembl26344

97. Mls001066408

98. Mls001331664

99. Mls001332399

100. Mls001332400

101. 3-indolylmethylcarboxylic Acid

102. Alpha-indol-3-yl-acetic Acid

103. Indole-3-acetic Acid (8ci)

104. Indoleacetic Acid [mi]

105. Wln: T56 Bmj D1vq

106. [3h]-iaa

107. 3-indolyl Acetic Acid 100 Microg/ml In Acetonitrile

108. Hms560l01

109. Amy2736

110. 2-(1h-indol-3-yl)-acetic Acid

111. Hms2269g24

112. Hms3604m04

113. Bcp26623

114. Tox21_202284

115. Tox21_302731

116. Bbl009348

117. Bdbm50201883

118. Ccg-51070

119. S4799

120. Stk397461

121. Akos000119890

122. 1h-indole-3-acetic-a-t Acid (9ci)

123. Ac-2974

124. Cg-0522

125. Cs-6287

126. Db07950

127. Sdccgmls-0066204.p001

128. 3-indoleacetic Acid, >=98.0% (t)

129. Ncgc00247039-01

130. Ncgc00247039-02

131. Ncgc00256391-01

132. Ncgc00259833-01

133. Hy-18569

134. Sy003464

135. Db-011566

136. Eu-0099905

137. I0022

138. Ns00014849

139. 3-indoleacetic Acid, Technical, >=95% (t)

140. En300-17303

141. C00954

142. I-1000

143. I-1040

144. Q411208

145. Sr-01000596909

146. 2-(1h-indol-3-yl)acetic Acid;indole-3-acetic Acid

147. 3-indoleacetic Acid, Saj Special Grade, >=98.5%

148. Is_indole-2,4,5,6,7-d5-3-acetic Acid

149. Sr-01000596909-1

150. Sr-01000596909-2

151. Z56913182

152. 2-(3-indolyl)acetic Acid 3-(carboxymethyl)-1h-indole

153. 3-indoleacetic Acid, Pestanal(r), Analytical Standard

154. F0722-8837

155. 0a0524ae-d755-4e91-a73a-2ad867fe676a

156. 3-indoleacetic Acid, Plant Cell Culture Tested, Crystalline

157. Inchi=1/c10h9no2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11h,5h2,(h,12,13

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO₂
Molecular Weight	175.18 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	53.1
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Plant Growth Regulators

Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins. (See all compounds classified as Plant Growth Regulators.)

4.2 Metabolism/Metabolites

Indole-3-acetic-acid has known human metabolites that include Indole-3-acetic-acid-O-glucuronide.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan.

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