Skip to main content

Table 7 Ames positive chemicals, but predicted as negative by StarDrop NIHS 834_67 (False negative)

From: Development of a new quantitative structure–activity relationship model for predicting Ames mutagenicity of food flavor chemicals using StarDrop™ auto-Modeller™

No. JECFA No. Chemical Name CAS No. Structure Substructure Class Note
1 429 menthone 89–80-5 Ketones DEREK: INACTIVE
CASE Ultra: Known Negative
2 656 trans-cinnamaldehyde 104–55-2 Aromatic aldehydes DEREK: PLAUSIBLE
CASE Ultra: Known Positive
3 728 raspberry ketone 5471-51-2 Ketones DEREK: INACTIVE
CASE Ultra: Negative
4 767 2,6-dimethylpyrazine 108–50-9 Newly designated flavors DEREK: INACTIVE
CASE Ultra: Known Positive
5 820 4-phenyl-3-buten-2-one 122–57-6 Ketones DEREK: INACTIVE
CASE Ultra: Known Positive
6 1208 4-methyl-2-pentenal 5362-56-1 Aliphatic higher aldehydes DEREK: PLAUSIBLE
CASE Ultra: Positive
7 1346 cadinene (mixture of isomers) 29,350–73-0 Terpene hydrocarbons DEREK: INACTIVE
CASE Ultra: Known Negative
8 1503 2-Furyl methyl ketone 1192–62-7 Ketones DEREK: EQUIVOCAL
CASE Ultra: Known Positive
9 S-methyl methanethiosulfonate 2949-92-0 Esters DEREK: INACTIVE
CASE Ultra: Out of Domain