REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/13 - QDB Compounds

QsarDB Repository

Aptula, A.O.; Roberts, D.W.; Cronin, M.T.D.; Schultz, T.W. Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis. Chem. Res. Toxicol. 2005, 18, 5, 844–854.

38 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID Name pIGC50 Ref Details
1 1,3,5-trihydroxybenzene -1.26 View
2 2-(2-hydroxyethyl)resorcinol -0.87 View
3 resorcinol -0.65 View
4 5-methylresorcinol -0.39 View
5 4-chlororesorcinol 0.13 View
6 4,6-dichlororesorcinol 0.97 View
7 2,4,6-tribromoresorcinol 1.06 View
8 5-pentylresorcinol 1.31 View
9 2,4-dihydroxybenzophenone 1.37 View
10 4-hexylresorcinol 1.80 View
11 2-nitroresorcinol 0.66 View
12 resorcinol monobenzoate 1.11 View
13 3-methylcatechol 0.28 View
14 4-methylcatechol 0.37 View
15 catechol 0.75 View
16 4-chlorocatechol 1.06 View
17 4-nitrocatechol 1.17 View
18 2,3-dihydroxybenzaldehyde 1.03 [1] View
19 1,2,3-trihydroxybenzene 0.85 View
20 1,2,4-trihydroxybenzene 0.44 View
21 2,3,4-trihydroxybenzophenone 0.88 [1] View
22 4,6-dinitro-1,2,3-trihydroxybenzene 1.18 [1] View
23 hydroquinone 0.47 View
24 methylhydroquinone 1.86 View
25 2,3-dimethylhydroquinone 1.41 View
26 trimethylhydroquinone 1.34 View
27 tetramethylhydroquinone 1.28 View
28 chlorohydroquinone 1.26 View
29 bromohydroquinone 1.68 View
30 tetrachlorohydroquinone 2.11 View
31 tetrafluorohydroquinone 1.84 View
32 phenylhydroquinone 2.01 View
33 2,5-dihydroxybenzaldehyde 0.71 [1] View
34 2,5-dichlorohydroquinone 1.81 [1] View
35 tetrachlorocatechol 1.70 View
36 tetrabromocatechol 0.98 View
37 methoxyhydroquinone 2.20 View
38 2,3-dicyanohydroquinone -0.44 View

Bibliography

  1. Aptula, A. O.; Roberts, D. W.; Cronin, M. T. D.; Schultz, T. W. Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis. Chem. Res. Toxicol. 2005, 18, 844–854. http://dx.doi.org/10.1021/tx049666n

  2. Schultz, T. W.; Sinks, G. D.; Cronin, M. T. D. Identification of Mechanisms of Toxic Action of Phenols to Tetrahymena pyriformis from Molecular Descriptors. In Quantitative Structure-Activity Relationships in Environmental Sciences; Chen, F.; Schüürmann, G., Eds.; SETAC Press; 1997.

  3. Netzeva, T. I.; Aptula, A. O.; Chaudary, S. H.; Duffy, J. C.; Schultz, T. W.; Schüürmann, G.; Cronin, M. T. D. Structure-Activity Relationships for the Toxicity of Substituted Poly-hydroxylated Benzenes to Tetrahymena pyriformis: Influence of Free Radical Formation. QSAR Comb. Sci. 2003, 22, 575–582. http://dx.doi.org/10.1002/qsar.200330816

  4. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079