Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

219 compounds | Property AMES: Ames test mutagenicity class

ID	Name	AMES	Details
1	N,N-diglycidylacrylamide	mutagen	View
2	Fusarenone x i	non-mutagen	View
3	Mezerein	non-mutagen	View
4	Trichothecin	non-mutagen	View
5	Phyllanthoside	non-mutagen	View
6	Riddelliine	mutagen	View
7	Senecionine	non-mutagen	View
8	Rubratoxin b	non-mutagen	View
9	Methyl 1-bromovinyl ketone	mutagen	View
10	Pentyl methacrylate	non-mutagen	View
11	Ethylene glycol dimethacrylate	non-mutagen	View
12	Neopentyl acrylate	non-mutagen	View
13	1,5-pentanediol dimethacrylate	non-mutagen	View
14	2-hydroxyethyl methacrylate	non-mutagen	View
15	2-ethylhexyl p-methoxycinnamate	non-mutagen	View
16	(E)-crotonaldehyde	mutagen	View
17	9-hydroxyvelleral	mutagen	View
18	2-bromoacrolein	mutagen	View
19	Neopentyl methacrylate	non-mutagen	View
20	alpha,5-dinitro-2-furanacrylic acid, methyl ester	mutagen	View
21	alpha-cyano-5-nitro-2-furanacrylic acid, methyl ester	mutagen	View
22	Isooctyl acrylate monomer	non-mutagen	View
23	3-nitrocinnamic acid	mutagen	View
24	Ethacrynic acid	non-mutagen	View
25	Furylfuramide	mutagen	View
26	Trans-2-heptenal	mutagen	View
27	O-nitrocinnamic acid	non-mutagen	View
28	4-acetamidochalcone	mutagen	View
29	2-chloro-3,3-dimethylacrolein	mutagen	View
30	Aconitic acid	non-mutagen	View
31	2-bromoacrylic acid	non-mutagen	View
32	5-nitro-2-furanacrylic acid	mutagen	View
33	Methyl 2-cyano-3-(2-bromophenyl)acrylate	non-mutagen	View
34	alpha-bromocinnamaldehyde	mutagen	View
35	2-ethyl-2-hexenal	non-mutagen	View
36	Isobutyl methacrylate	non-mutagen	View
37	Methyl 2-cyanoacrylate	mutagen	View
38	4-hydroxychalcone	non-mutagen	View
39	Cinnamaldehyde	non-mutagen	View
40	Mucobromic acid	mutagen	View
41	Triethylene glycol dimethacrylate	non-mutagen	View
42	Oxymetholone	non-mutagen	View
43	(E)-2-chloro-3-(dichloromethyl)-2-butenedioic acid	mutagen	View
44	Phosphamidon	mutagen	View
45	N-butyl acrylate	non-mutagen	View
46	Piperine	non-mutagen	View
47	4'-fluorochalcone	non-mutagen	View
48	Pentyl acrylate	non-mutagen	View
49	4'-bromochalcone	non-mutagen	View
50	Acrolein	mutagen	View
51	1,6-hexanediol dimethacrylate	non-mutagen	View
52	Ethyl methacrylate	non-mutagen	View
53	Neopentanediol dimethacrylate	non-mutagen	View
54	3-(dichloromethyl)-2,4,4-trichloro-2-butenoic acid	mutagen	View
55	N-isobutyl-5-nitro-2-furanacrylamide	mutagen	View
56	Furfural acetone	non-mutagen	View
57	(2Z)-2,4,4-trichloro-3-formyl-2-butenoic acid	mutagen	View
58	4-bromochalcone	non-mutagen	View
59	Allyl acrylate	non-mutagen	View
60	4'-hydroxychalcone	non-mutagen	View
61	8'-apo-beta-carotenal	non-mutagen	View
62	4-(chloromethyl)-5-hydroxy-2(5H)-furanone	mutagen	View
63	2-ethylhexyl 2-cyano-3,3-diphenylacrylate	non-mutagen	View
64	Diethylene glycol dimethacrylate	non-mutagen	View
65	4-phenylchalcone	non-mutagen	View
66	2-chloroacrolein	mutagen	View
67	5-nitro-2-furanacrylic acid, isopropyl ester	mutagen	View
68	O-nitrocinnamaldehyde	mutagen	View
69	Muconic acid	non-mutagen	View
70	Carboxin	non-mutagen	View
71	3-chloro-4-(dichloromethyl)-5-methoxy-2(5H)-furanone	mutagen	View
72	Diacetone acrylamide	non-mutagen	View
73	Merulidial	mutagen	View
74	2-propylacrolein	mutagen	View
75	2,3-dibromopropyl acrylate	mutagen	View
76	2-ethoxyethyl p-methoxycinnamate	non-mutagen	View
77	Pentaerythritol triacrylate	non-mutagen	View
78	hexyl methacrylate	non-mutagen	View
79	2-(dichloromethyl)-3,3-dichloro-2-propenal	mutagen	View
80	Methyl styryl ketone	mutagen	View
81	(+)-2-methylbutyl-4-methoxybenzylidine-4'-aminocinnamate	mutagen	View
82	3-chloro-4-(chloromethyl)-5-hydroxy-2(5H)-furanone	mutagen	View
83	Trimethylolpropane triacrylate	mutagen	View
84	(Z)-2-chloro-3-(dichloromethyl)-4-hydroxybut-2-enoic acid	mutagen	View
85	Neopentanediol diacrylate	non-mutagen	View
86	3-(5-nitro-2-furyl)acrylamide	mutagen	View
87	Methyl marasmate	mutagen	View
88	Benzylidene acetophenone	non-mutagen	View
89	5-dichloromethylene-2-furanone	mutagen	View
90	2-bromoethyl acrylate	mutagen	View
91	Tetraethyleneglycol diacrylate	non-mutagen	View
92	Ethyl vinyl ketone	mutagen	View
93	2-chloroethyl acrylate	mutagen	View
94	10-hydroxy-(2,4,6,8)dodecatetraenal	mutagen	View
95	5-nitro-2-furanacrylic acid, propyl ester	mutagen	View
96	Fumaric acid	non-mutagen	View
97	Trans-2-hexenal	mutagen	View
98	3,4-dichloro-2(5H)-furanone	mutagen	View
99	Trans-2-pentenal	mutagen	View
100	N-methylolacrylamide	non-mutagen	View
101	Citral	non-mutagen	View
102	alpha-cyano-2-furanacrylic acid, methyl ester	non-mutagen	View
103	4-nitrocinnamic acid	mutagen	View
104	Acrylic acid	non-mutagen	View
105	Ethylene glycol diacrylate	non-mutagen	View
106	2-methyl-2-propenal	mutagen	View
107	4'-methoxychalcone	non-mutagen	View
108	5-nitro-2-furanacrylic acid, isobutyl ester	mutagen	View
109	alpha-amyl cinnamaldehyde	non-mutagen	View
110	N-(1-methylpropyl)-5-nitro-2-furanacrylamide	mutagen	View
111	5-nitro-2-furanacrylic acid, butyl ester	mutagen	View
112	Methyl acrylate	non-mutagen	View
113	Methacrylic acid	non-mutagen	View
114	3-chloro-4-methyl-5-hydroxy-2(5H)-furanone	mutagen	View
115	4-aminocinnamic acid	non-mutagen	View
116	4'-nitrochalcone	mutagen	View
117	N-(2,2-dimethylpropyl)-5-nitro-2-furanacrylamide	mutagen	View
118	4-nitrochalcone	mutagen	View
119	Ethyl 2-cyanoacrylate	non-mutagen	View
120	1,4-butanediol dimethacrylate	non-mutagen	View
121	Hexyl acrylate	non-mutagen	View
122	Urocanic acid	non-mutagen	View
123	N,N-dimethyl-5-nitro-2-furanacrylamide	mutagen	View
124	octyl methacrylate	non-mutagen	View
125	4,4'-dinitrochalcone	mutagen	View
126	Trans,cis-2,6-nonadienal	non-mutagen	View
127	Piperonyl acetone i	non-mutagen	View
128	N-pentyl-5-nitro-2-furanacrylamide	mutagen	View
129	Trans-cinnamic acid	non-mutagen	View
130	5-nitro-2-furanacrylic acid, pentyl ester	mutagen	View
131	Bisphenol A glycidyl methacrylate	non-mutagen	View
132	monocrotophos	mutagen	View
133	(3beta)-3-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxo-2-propenyl]oxy]-17a-aza-d-homoandrost-5-en-1	mutagen	View
134	2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one	mutagen	View
135	gamma-butyrolactone i	mutagen	View
136	Arecoline	mutagen	View
137	N-nitrosoguvacoline	mutagen	View
138	N-propyl methacrylate	non-mutagen	View
139	alpha-methyl-5-nitro-2-furanacrylic acid, methyl ester	mutagen	View
140	4-chloromethyl-2(5H)-furanone	mutagen	View
141	decyl methacrylate	non-mutagen	View
142	Methyl vinyl ketone	mutagen	View
143	alpha-methylcinnamaldehyde	non-mutagen	View
144	Penicillic acid	non-mutagen	View
145	1,6-hexanediol diacrylate	non-mutagen	View
146	1,5-pentanediol diacrylate	non-mutagen	View
147	N,N'-methylene-bis-acrylamide	mutagen	View
148	N-methyl-5-nitro-2-furanacrylamide	mutagen	View
149	beta-ionone	non-mutagen	View
150	5-nitro-2-furanacrylic acid, 1-methylpropyl ester	mutagen	View
151	2-chlorocrotonaldehyde	mutagen	View
152	2,3,3-trichloropropenal	mutagen	View
153	Mono(2-ethylhexyl) acrylate	non-mutagen	View
154	1-perillaldehyde	non-mutagen	View
155	Isophorone	non-mutagen	View
156	4-methoxychalcone	non-mutagen	View
157	3,4-dichloro-1h-pyrrole-2,5-dione	mutagen	View
158	Curcumin	non-mutagen	View
159	P-chlorocinnamic acid	non-mutagen	View
160	3-nitrochalcone	non-mutagen	View
161	Shogaol	mutagen	View
162	N-ethyl-5-nitro-2-furanacrylamide	mutagen	View
164	Tert-butyl acrylate	non-mutagen	View
165	2,2,4,5-tetrachlorocyclopentene-1,3-dione	non-mutagen	View
166	5-nitro-2-furanacrylic acid, 1,1-dimethylethyl ester	mutagen	View
167	N-(1,1-dimethylethyl)-5-nitro-2-furanacrylamide	mutagen	View
168	Moniliformin	non-mutagen	View
169	4'-acetamidochalcone	non-mutagen	View
170	3-chloro-4-(dichloromethyl)-2(5H)-furanone	mutagen	View
171	Maleimide	mutagen	View
172	Acrylic acid vinyl ester	non-mutagen	View
173	Ascorbyl palmitate	non-mutagen	View
174	Erythorbic acid	non-mutagen	View
175	3-methylcyclopentane-1,2-dione hydrate	non-mutagen	View
176	N-butyl methacrylate	non-mutagen	View
177	Nivalenol i	non-mutagen	View
178	Seneciphylline	mutagen	View
179	2-(dimethylamino)ethyl acrylate	non-mutagen	View
180	1,1-dimethyl-1-(2-hydroxypropylamine)methacrylimide	non-mutagen	View
181	1,4-butanediol diacrylate	non-mutagen	View
182	5-nitro-2-furanacrylic n-(5-nitro-2-furfurylidene)hydrazide	mutagen	View
183	3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrol-1-yloxy	non-mutagen	View
184	Canthaxanthin	non-mutagen	View
185	Bioallethrin	mutagen	View
186	Ferulic acid	non-mutagen	View
187	4-fluorochalcone	non-mutagen	View
188	Butenolide	non-mutagen	View
189	2-nitrochalcone	non-mutagen	View
190	Cis-3-chloropropenoic acid	mutagen	View
191	Mucochloric acid	mutagen	View
192	P-nitrocinnamaldehyde	mutagen	View
193	Caffeic acid	non-mutagen	View
194	P-dimethylaminocinnamaldehyde	non-mutagen	View
195	N-acryloyl-n'-phenylpiperazine	non-mutagen	View
196	2,3-dibromopropyl methacrylate	mutagen	View
197	Tert-butyl methacrylate	non-mutagen	View
198	5-nitro-2-furanacrylic acid, ethyl ester	mutagen	View
199	4-dimethylaminochalcone	non-mutagen	View
200	2-hydroxyethyl acrylate	non-mutagen	View
201	3,4-dichloro-5-hydroxy-2(5H)-furanone	mutagen	View
202	N-butyl-5-nitro-2-furanacrylamide	mutagen	View
203	Dibutyl (Z)-but-2-enedioate	non-mutagen	View
204	beta-2-furylacrolein	non-mutagen	View
205	Trans,trans-2,4-hexadienal	mutagen	View
206	Isobutyl acrylate	non-mutagen	View
207	N-propyl-5-nitro-2-furanacrylamide	mutagen	View
208	N-isopropyl-5-nitro-2-furanacrylamide	mutagen	View
209	3,3-dichloropropenal	mutagen	View
210	Trimethylolpropane trimethacrylate	mutagen	View
211	5-nitro-2-furanacrolein	mutagen	View
212	Maleic anhydride	non-mutagen	View
213	3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	mutagen	View
214	Isopropyl methacrylate	non-mutagen	View
215	Diethylene glycol diacrylate	non-mutagen	View
216	5-nitro-2-furanacrylic acid, methyl ester	mutagen	View
217	9-hydroxyisovelleral	mutagen	View
218	3-chloro-4-(chloromethyl)-2(5H)-furanone	mutagen	View
219	2-ethylacrolein	mutagen	View
220	Chlorogenic acid	non-mutagen	View

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10967/217 - QDB Compounds

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Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

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