Papa, E.; Pilutti, P.; Gramatica, P. Prediction of PAH mutagenicity in human cells by QSAR classification. SAR and QSAR in Environmental Research 2008, 19, 115–127.

70 compounds | Property Mutagenicity: Mutagenicity on human h1A1v2 cells i

ID	Name	Mutagenicity	Details
1	Benzo(a)pyrene	yes	View
2	Dibenz[a,h]anthracene i	yes	View
3	Benz[a]anthracene	yes	View
4	1,8-Naphthalic Anhydride	no	View
5	7H-benz[de]anthracen-7-one	yes	View
6	Phenanthrene-9,10-quinone	no	View
7	Anthraquinone	no	View
8	Phenanthrene	no	View
9	Pyrene	no	View
10	Dibenzo[a,i]pyrene	yes	View
11	Dibenzo[a,h]pyrene	yes	View
12	Coronene	no	View
13	Benzo[ghi]perylene	yes	View
14	Dibenzo(a,l)pyrene	yes	View
15	Benzo[a]perylene	yes	View
16	Dibenzo[a,e]pyrene	yes	View
17	Benzo(e)pyrene	yes	View
18	Indeno[1,2,3-cd]pyrene	yes	View
19	Benzo[c]phenanthrene	yes	View
20	Benzo[b]perylene	yes	View
21	Perylene	no	View
22	Naphtho[2,1-a]pyrene	yes	View
23	Benzo[ghi]fluoranthene	no	View
24	Benzo(J)fluoranthene	yes	View
25	Naphtho[2,3-j]fluoranthene	no	View
26	Dibenzo[b,k]fluoranthene	yes	View
27	Benzo(b)fluoranthene	yes	View
28	Naphtho[2,3-b]fluoranthene	yes	View
29	Benzo(k)fluoranthene	yes	View
30	Naphtho[2,3-k]fluoranthene	no	View
31	Acenaphthylene	yes	View
32	Picene	no	View
33	Benzo[b]chrysene	no	View
34	Triphenylene	yes	View
35	Chrysene	yes	View
36	Dibenz[a,j]anthracene i	yes	View
37	Naphtho[1,2-k]fluoranthene	yes	View
38	Benzo[b]fluorene	no	View
39	Benzo[b]naphtho[2,1-d]thiophene	no	View
40	Phenalenone	yes	View
41	9-Nitroanthracene	yes	View
42	2-Nitrofluorene i	no	View
43	Anthanthrenequinone	yes	View
44	2-Nitropyrene	no	View
45	1-Methylphenanthrene	yes	View
46	3-Nitrofluoranthene	yes	View
47	5,12-Naphthacenequinone	no	View
48	7,12-Benz[a]anthracenequinone	no	View
49	1,6-Benzo[a]pyrenequinone	no	View
50	3,6-Benzo[a]pyrenequinone	no	View
51	6H-Benzo[cd]pyren-6-one	yes	View
52	5-Methylchrysene	yes	View
53	Dibenzo[a,e]fluoranthene	yes	View
54	1-Nitropyrene	yes	View
55	4H-cyclopenta[def]-phenanthrene-4-one	no	View
56	2-Nitro-6H-dibenzo[b,d]pyran-6-one	no	View
57	3-Nitro-6H-dibenzo[b,d]pyran-6-one	yes	View
58	2-Nitrofluoranthene	yes	View
59	8-Methylfluoranthene	yes	View
60	Cyclopenta[cd]pyrene i	yes	View
61	Benzo[a]fluorene	no	View
62	1-Methylbenzo(a)pyrene i	yes	View
63	4,5-Benzo[a]pyrenequinone	no	View
64	1,6-Dinitropyrene	yes	View
65	1,8-Dinitropyrene	yes	View
66	Cyclopenta[cd]pyren-3(4H)-one	yes	View
67	1,3-Dinitropyrene	yes	View
68	7H-dibenz[de, j]anthracen-7-one	no	View
69	Dibenzo[a,k]fluoranthene	yes	View
70	1,4-Chrysenequinone	no	View

Bibliography

Durant, J. L.; Busby, W. F.; Lafleur, A. L.; Penman, B. W.; Crespi, C. L. Human cell mutagenicity of oxygenated, nitrated and unsubstituted polycyclic aromatic hydrocarbons associated with urban aerosols. Mutation Research/Genetic Toxicology 1996, 371, 123–157. https://doi.org/10.1016/s0165-1218(96)90103-2
Durant, J. L.; Lafleur, A. L.; Busby, W. F.; Donhoffner, L. L.; Penman, B. W.; Crespi, C. L. Mutagenicity of C24H14 PAH in human cells expressing CYP1A1. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 1999, 446, 1–14. https://doi.org/10.1016/s1383-5718(99)00135-7

10967/186 - QDB Compounds

QsarDB Repository

Papa, E.; Pilutti, P.; Gramatica, P. Prediction of PAH mutagenicity in human cells by QSAR classification. SAR and QSAR in Environmental Research 2008, 19, 115–127.

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