CAS	Chem.name	Chem.SMILES	#Observed Mutagenicity without S9	#Observed Mutagenicity with S9	Bioassay - 	Reference(s) -
484-20-8	5-Methoxypsoralen	COc1c2C=CC(=O)Oc2cc2c1C=CO2	in vitro Ames negative	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	 D. Kirkland, L. Reeve, D. Gatehouse, P. Vanparys, A core in vitro genotoxicity battery comprising the Ames test plus the in vitro micronucleus test is sufficient to detect rodent carcinogens and in vivo genotoxins, Mutat. Res. 721 (2011) 27-73.
13849-08-6	Marmesin	CC(C)(O)C{P-}1Cc2cc3C=CC(=O)Oc3cc2O1	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	UWAIFO,AO;  J. TOXICOL. ENVIRON. HEALTH 13(4-6):521-530, 1984
144425-09-2	9-Methoxytariacuripyrone	COc1ccc2cc(c3C=CC(=O)Oc3c2c1)[N+]([O-])=O	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Schimmer, O. and Drewello,U; 9-Methoxytariacuripyrone, a Naturally Occurring Nitro-Aromatic Compound with Strong Mutagenicity in Salmonella Typhimurium; Mutagenesis 9(6):547-551, 1994
13164-04-0	Chalepin	CC(C)(C=C)C1=Cc2cc3CC(C(C)(C)O)Oc3cc2OC1=O	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25
129812-24-4	2a,9b-Dihydro-2a,8,9b-trimethyl-6H-(1,2)dioxeto(3',4':4,5)furo(3,2-g)(1)benzopyran-6-one	CC1=CC(=O)Oc2cc3c(cc12)C1(C)C(C)(O3)OO1	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Adam, W., et. al. Furocoumarin-, Naphthofuran-, and Furoquinoline-annulated 1,2-dioxetanes: synthesis, thermolysis, and mutagenicity; Liebigs Ann. Chem. (12):1227-1236, 1990
129812-26-6	7a,9a-Dihydro,1,7a,9a-trimethyl-3H-(1,2)dioxeto(3',4':4,5)furo(3,2-f)benzopyran-3-one	CC1=CC(=O)Oc2ccc3c(c12)C1(C)C(C)(O3)OO1	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Adam, W., et. al. Furocoumarin-, Naphthofuran-, and Furoquinoline-annulated 1,2-dioxetanes: synthesis, thermolysis, and mutagenicity; Liebigs Ann. Chem. (12):1227-1236, 1990
129833-00-7	2H-(1,2)Dioxeto(3',4':4,5)furo(3,2-h)-1-benzopyran-2-one, 6b,8a-dihydro-4,6b,8a-trimethyl-	CC1=CC(=O)Oc2c1ccc1c2OC2(C)C1(C)OO2	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Adam, W. et. al.; Benzofuran Dioxetanes, A New Class of Mutagenic Agents: Synthesis by Photooxygenation of Benzofuran Derivatives;Liebigs Ann. Chem. (1):33-40, 1991
482-44-0	Pentosalen	CC(C)=CCOc1c2c(cc3C=CC(=O)Oc13)C=CO2	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Uwaifo, AO.; The Mutagenicities of Seven Coumarin Derivatives and a Furan Derivative (Nimbolide) Isolated from Three Medicinal Plants; J. Toxicol. Environ. Health 13(4-6):521-530, 1984
298-81-7	Methoxalen	COc1c2c(cc3C=CC(=O)Oc13)C=CO2	in vitro Ames negative	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	NCI/NTP CARCINOGENESIS TECHNICAL REPORT SERIES; U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, TR-359 Y89
91-64-5	Coumarin	O=C1C=Cc2ccccc2O1	in vitro Ames negative	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	NCI/NTP CARCINOGENESIS TECHNICAL REPORT SERIES; NATIONAL CANCER INSTITUTE/NATIONAL TOXICOLOGY PROGRAM; U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, TR-422 Y93; GEE,P, SOMMERS,CH, MELICK,AS, GIDROL,XM, TODD,MD, BURRIS,RB, NELSON,ME, KLEMM,RC AND ZEIGER,E; COMPARISON OF RESPONSES OF BASE-SPECIFIC SALMONELLA TESTER STRAINS WITH THE TRADITIONAL STRAINS FOR IDENTIFYING MUTAGENS: THE RESULTS OF A VALIDATION STUDY; MUTAT. RES. 412(2):115-130, 1998
29611-03-8	Aflatoxicol	COc1cc2c(C3C=COC3O2)c2c1C1CCC(O)C=1C(=O)O2	in vitro Ames negative	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Yourtee,DM and KIRK-YOURTEE,CL; THE MUTAGENICITY OF AFLATOXIN Q1 TO SALMONELLA TYPHIMURIUM TA 100 WITH OR WITHOUT RAT OR HUMAN LIVER MICROSOMAL PREPARATIONS; RES. COMMUN. CHEM. PATHOL. PHARMACOL. 54(1):101-113, 1986
1162-65-8	Aflatoxin B1	COc1cc2c(C3C=COC3O2)c2c1C1CCC(=O)C=1C(=O)O2	in vitro Ames positive	in vitro Ames positive	Bacterial Reverse Mutation Assay (e.g. Ames Test)	Kfir,R, Johannsen,E and VLEGGAAR,R; MUTAGENIC ACTIVITY OF AUSTOCYSTINS - SECONDARY METABOLITES OF ASPERGILLUS USTUS;BULL. ENVIRON. CONTAM. TOXICOL. 37(5):643-650, 1986