10967/45 - QDB Compounds

QsarDB Repository

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.

198 compounds | Property MOA: Mode of action

IDNameMOADetails
12,4-dimethylphenolPolar narcotic (zone 1)View
24-methylphenolPolar narcotic (zone 1)View
33-methylphenolPolar narcotic (zone 1)View
43,5-dimethylphenolPolar narcotic (zone 1)View
5phenolPolar narcotic (zone 1)View
64-butoxyphenolPolar narcotic (zone 1)View
74-ethylphenolPolar narcotic (zone 1)View
83-methoxyphenolPolar narcotic (zone 1)View
94-methoxyphenolPolar narcotic (zone 1)View
102-allylphenolPolar narcotic (zone 1)View
112,3,6-trimethylphenolPolar narcotic (zone 1)View
122-hydroxy-4,5-dimethylacetophenonePolar narcotic (zone 1)View
133,5-dimethoxyphenolPolar narcotic (zone 1)View
144-hydroxyphenethylalcoholPolar narcotic (zone 1)View
152,3-dimethylphenolPolar narcotic (zone 1)View
163,4,5-trimethylphenolPolar narcotic (zone 1)View
172,4,6-trimethylphenolPolar narcotic (zone 1)View
183-tert-butylphenolPolar narcotic (zone 1)View
193-isopropylphenolPolar narcotic (zone 1)View
203-ethylphenolPolar narcotic (zone 1)View
213-hydroxybenzylalcoholPolar narcotic (zone 1)View
223-acetamidophenolPolar narcotic (zone 1)View
234-ethoxyphenolPolar narcotic (zone 1)View
244-propylphenolPolar narcotic (zone 1)View
253-ethoxy-4-methoxyphenolPolar narcotic (zone 1)View
262,3,5-trimethylphenolPolar narcotic (zone 1)View
272-tert-butylphenolPolar narcotic (zone 1)View
282-isopropylphenolPolar narcotic (zone 1)View
292-ethylphenolPolar narcotic (zone 1)View
302-hydroxybenzylalcoholPolar narcotic (zone 1)View
312-methoxyphenolPolar narcotic (zone 1)View
322,6-dimethoxyphenolPolar narcotic (zone 1)View
332-ethoxyphenolPolar narcotic (zone 1)View
342-methylphenolPolar narcotic (zone 1)View
353,4-dimethylphenolPolar narcotic (zone 1)View
362,5-dimethylphenolPolar narcotic (zone 1)View
374-(tert-)butylphenolPolar narcotic (zone 1)View
384-sec-butylphenolPolar narcotic (zone 1)View
394-isopropylphenolPolar narcotic (zone 1)View
404-hydroxy-3-methoxyphenethylalcoholPolar narcotic (zone 1)View
413-hydroxy-4-methoxybenzylalcoholPolar narcotic (zone 1)View
424-hydroxy-3-methoxybenzylalcoholPolar narcotic (zone 1)View
434-hydroxy-3-methoxybenzylaminePolar narcotic (zone 1)View
442,4,6-tris(dimethylaminomethyl)phenolPolar narcotic (zone 1)View
454-allyl-2-methoxyphenolPolar narcotic (zone 1)View
46resorscinolPolar narcotic (zone 1)View
471,3,5-trihydroxybenzenePolar narcotic (zone 1)View
484-hexylresorcinolPolar narcotic (zone 1)View
495-methylresorcinolPolar narcotic (zone 1)View
505-pentyresorcinolPolar narcotic (zone 1)View
514-benzyloxyphenolPolar narcotic (zone 1)View
524-chloro-2-methylphenolPolar narcotic (zone 1)View
534-chloro-3-methylphenolPolar narcotic (zone 1)View
544-chloro-3,5-dimethylphenolPolar narcotic (zone 1)View
554-bromophenolPolar narcotic (zone 2)View
564-chlorophenolPolar narcotic (zone 2)View
573-chlorophenolPolar narcotic (zone 2)View
582-chloro-4,5-dimethylphenolPolar narcotic (zone 2)View
594-hydroxybenzylcyanidePolar narcotic (zone 2)View
602-fluorophenolPolar narcotic (zone 2)View
614-fluorophenolPolar narcotic (zone 2)View
623-fluorophenolPolar narcotic (zone 2)View
634-iodophenolPolar narcotic (zone 2)View
643-bromophenolPolar narcotic (zone 2)View
652-chloro-5-methylphenolPolar narcotic (zone 2)View
663-iodophenolPolar narcotic (zone 2)View
673-chloro-5-methoxyphenolPolar narcotic (zone 2)View
682-bromo-4-methylphenolPolar narcotic (zone 2)View
692-bromophenolPolar narcotic (zone 2)View
702-chlorophenolPolar narcotic (zone 2)View
71ethyl-4-hydroxy-3-methoxyphenylacetatePolar narcotic (zone 2)View
722-methoxy-4-propenylphenolPolar narcotic (zone 2)View
734-chlororesorcinolPolar narcotic (zone 2)View
742-phenylphenolPolar narcotic (zone 2)View
754-phenylphenolPolar narcotic (zone 2)View
765-bromo-2--hydroxybenzylalcoholPolar narcotic (zone 3)View
773-hydroxybenzaldehydePolar narcotic (zone 3)View
782-hydroxyacetophenonePolar narcotic (zone 3)View
79ethyl-4-hydroxybenzoatePolar narcotic (zone 3)View
802,4-dichlorophenolPolar narcotic (zone 3)View
813-ethoxy-4-hydroxybenzaldehydePolar narcotic (zone 3)View
823-methoxy4-hydroxybenzaldehydePolar narcotic (zone 3)View
833-hydroxyacetophenonePolar narcotic (zone 3)View
844-hydroxybenzaldehydePolar narcotic (zone 3)View
85syringaldehydePolar narcotic (zone 3)View
863-methoxysalicylaldehydePolar narcotic (zone 3)View
87methyl-3-hydroxybenzoatePolar narcotic (zone 3)View
883-chloro-4-fluorophenolPolar narcotic (zone 3)View
892,6-difluorophenolPolar narcotic (zone 3)View
905-bromovanillinPolar narcotic (zone 3)View
912,4-difluorophenolPolar narcotic (zone 3)View
922,6-dichloro-4-fluorophenolPolar narcotic (zone 3)View
93α,α,α-trifluoro-4-cresolPolar narcotic (zone 3)View
942,3-dichlorophenolPolar narcotic (zone 3)View
952,5-dichlorophenolPolar narcotic (zone 3)View
963,5-dichlorophenolPolar narcotic (zone 3)View
972-cyanophenolPolar narcotic (zone 3)View
982,4-dibromophenolPolar narcotic (zone 3)View
994-hydroxybenzamidePolar narcotic (zone 3)View
1003-hydroxy-4-methoxybenzaldehydePolar narcotic (zone 3)View
1012-hydroxybenzamidePolar narcotic (zone 3)View
102salicylic acidPolar narcotic (zone 3)View
1034-hydroxypropiophenonePolar narcotic (zone 3)View
1044-cyanophenolPolar narcotic (zone 3)View
105ethyl-3-hydroxybenzoatePolar narcotic (zone 3)View
1062,6-dichlorophenolPolar narcotic (zone 3)View
1073-cyanophenolPolar narcotic (zone 3)View
1082,4,6-trichlorophenolPolar narcotic (zone 3)View
109salicylhydroxamicacidPolar narcotic (zone 3)View
1102-hydroxybenzaldehydePolar narcotic (zone 3)View
1113,5-dibromosalicylaldehydePolar narcotic (zone 3)View
112salicylhydrazidePolar narcotic (zone 3)View
113salicylaldoximePolar narcotic (zone 3)View
1143,4-dichlorophenolPolar narcotic (zone 3)View
1153-amino-4-hydroxybenzenesulfonic acidPolar narcotic (zone 3)View
1163-hydroxybenzoicacidPolar narcotic (zone 3)View
117methyl-4-hydroxybenzoatePolar narcotic (zone 3)View
1184-hydroxyacetophenonePolar narcotic (zone 3)View
1194-hydroxybenzoic acidPolar narcotic (zone 3)View
1204-hydroxy-3-methoxyacetophenonePolar narcotic (zone 3)View
1212-hydroxy-4-methoxyacetophenonePolar narcotic (zone 3)View
1223,5-dichlorosalicyaldehydePolar narcotic (zone 3)View
1235-fluoro-2-hydroxyacetophenonePolar narcotic (zone 3)View
1242-hydroxy-5-methylacetophenonePolar narcotic (zone 3)View
1254-hydroxy-3-methoxybenzonitrilePolar narcotic (zone 3)View
1264-hydroxy-2-methylacetophenonePolar narcotic (zone 3)View
127methyl-4-methoxysalicylatePolar narcotic (zone 3)View
1282-hydroxethylsalicylatePolar narcotic (zone 3)View
1294-hydroxyphenylaceticacidPolar narcotic (zone 3)View
1304,6-dichlororesorcinolPolar narcotic (zone 3)View
1314-hydroxybenzophenonePolar narcotic (zone 3)View
1323-phenylphenolPolar narcotic (zone 3)View
1332,5-dinitrophenolRespiratory uncouplerView
1342,4-dinitrophenolRespiratory uncouplerView
1354,6-dinitro-2-methylphenolRespiratory uncouplerView
1362,6-dinitrophenolRespiratory uncouplerView
1373,4-dinitrophenolRespiratory uncouplerView
1382,4-chloro-6-nitrophenolRespiratory uncouplerView
1392,6-dinitro-4-cresolRespiratory uncouplerView
1402,6-dichloro-4-nitrophenolRespiratory uncouplerView
1412,3-dinitrophenolRespiratory uncouplerView
1422,3,5,6-tetrafluorophenolRespiratory uncouplerView
143pentafluorophenolRespiratory uncouplerView
1442,4,6-nitrophenolRespiratory uncouplerView
1452,6-bromo-4-nitrophenolRespiratory uncouplerView
1462,3-dicyanohydroquinoneRespiratory uncouplerView
1474-acetamidophenolPro-electrophileView
1482-amino-4-(tert-)butylphenolPro-electrophileView
1494-aminophenolPro-electrophileView
1502,4-diaminophenolPro-electrophileView
1515-amino-2-methoxyphenolPro-electrophileView
1524-amino-2-methylphenolPro-electrophileView
1536-amino-2,4-dimethylphenolPro-electrophileView
1543-aminophenolPro-electrophileView
1552-aminophenolPro-electrophileView
1565-chloro-2-hydroxyanilinePro-electrophileView
1574-amino-2,3-dimethylphenolPro-electrophileView
1585-amino-2-methoxyphenolPro-electrophileView
159hydroquinonePro-electrophileView
160methylhydroquinonePro-electrophileView
1612,3-dimethylhydroquinonePro-electrophileView
162trimethylhydroquinonePro-electrophileView
163chlorohydroquinonePro-electrophileView
164bromohydroquinonePro-electrophileView
165phenylhydroquinonePro-electrophileView
166methoxyhydroquinonePro-electrophileView
167catecholPro-electrophileView
1681,2,4-trihydroxybenzenePro-electrophileView
1691,2,3-trihydroxybenzenePro-electrophileView
1703-methylcatecholPro-electrophileView
1714-methylcatecholPro-electrophileView
1724-chlorocatecholPro-electrophileView
1734-nitrophenolSoft electrophileView
1744-nitrosophenolSoft electrophileView
1754-methyl-2-nitrophenolSoft electrophileView
1764-amino-2-nitrophenolSoft electrophileView
1774-methyl-3-nitrophenolSoft electrophileView
1783-methyl-4-nitrophenolSoft electrophileView
1792-chloromethyl-4-nitrophenolSoft electrophileView
1805-hydroxy-2-nitrobenzaldehydeSoft electrophileView
1815-fluoro-2-nitrophenolSoft electrophileView
1823-nitrophenolSoft electrophileView
1832-chloro-4-nitrophenolSoft electrophileView
1842-amino-4-chloro-5-nitrophenolSoft electrophileView
1854-chloro-6-nitro-3-methylphenolSoft electrophileView
1862-nitrophenolSoft electrophileView
1874-chloro-2-nitrophenolSoft electrophileView
1882-amino-4-nitrophenolSoft electrophileView
1893-hydroxy-4-nitrobenzaldehydeSoft electrophileView
1904-hydroxy-3-nitrobenzaldehydeSoft electrophileView
1915-hydroxy-2-nitrobenzaldehydeSoft electrophileView
1923-fluoro-4-nitrophenolSoft electrophileView
1934-nitro-3-(trifluoromethyl)-phenolSoft electrophileView
1944-nitrocatecholSoft electrophileView
1952-nitroresorcinolSoft electrophileView
196tetramethylhydroquinonePro-redox cyclerView
197tetrachlorohydroquinonePro-redox cyclerView
198tetrafluorohydroquinonePro-redox cyclerView

Bibliography

  1. 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.