Table 2 Predicted agonists (this study) and known ligands18 (in bold) tested on SlitOR25.
From: Machine learning decodes chemical features to identify novel agonists of a moth odorant receptor
Compounds | CAS | Provider | Purity |
|---|---|---|---|
1-Naphthaldehyde | 66-77-3 | Alfa Aesar | 97% |
2′-Fluoroacetophenone | 445-27-2 | Alfa Aesar | 97% |
Phenylglyoxal monohydrate | 1074-12-0 | Acros organics | 97% |
Terephthalaldehyde | 623-27-8 | Alfa Aesar | 98% |
Isophthalaldehyde | 626-19-7 | Alfa Aesar | 98% |
1,3-benzenedimethanol | 626-18-6 | Alfa Aesar | 98% |
2-Fluorobenzaldehyde | 446-52-6 | Alfa Aesar | 97% |
2-Fluorobenzyl alcohol | 446-51-5 | Alfa Aesar | 98% |
4-Fluorobenzaldehyde | 459-57-4 | Alfa Aesar | 98% |
4-Fluorobenzyl alcohol | 459-56-3 | Alfa Aesar | 97% |
3,4-Difluorobenzaldehyde | 34036-07-2 | Alfa Aesar | 98% |
3,4-Difluorobenzyl alcohol | 85118-05-4 | Alfa Aesar | 99% |
2,3,4-Trifluorobenzyl alcohol | 144284-24-2 | Alfa Aesar | 97% |
Salicylic acid | 69-72-7 | VWR chemicals | 98% |
3-Fluorobenzyl alcohol | 456-47-3 | Alfa Aesar | 98% |
3- Fluorobenzaldehyde | 456-48-4 | Alfa Aesar | 97% |
2,5-Difluorobenzaldehyde | 2646-90-4 | Alfa Aesar | 98% |
2,6-Difluorobenzaldehyde | 437-81-0 | Alfa Aesar | 97% |
3,5-Difluorobenzyl alcohol | 79538-20- 8 | Alfa Aesar | 97% |
3,5-Difluorobenzaldehyde | 32085-88-4 | Alfa Aesar | 97% |
2,4-Difluorobenzyl alcohol | 56456-47-4 | Alfa Aesar | 98% |
2,4-Difluorobenzaldehyde | 1550-35-2 | Alfa Aesar | 98% |
2,3-Difluorobenzaldehyde | 2646-91-5 | Alfa Aesar | 98% |
3,4,5-Trifluorobenzyl alcohol | 220227-37-2 | Alfa Aesar | 97% |
2,4,5-Trifluorobenzyl alcohol | 144284-25-3 | Alfa Aesar | 98% |
1,3-Indanedione | 606-23-5 | Alfa Aesar | 97% |
p-tolualdehyde | 104-87-0 | Alfa Aesar | 98% |
4′-Fluoroacetophenone | 403-42-9 | Alfa Aesar | 99% |
2′,4′-Difluoroacetophenone | 364-83-0 | Alfa Aesar | 98% |
2-Methoxybenzoic acid | 579-75-9 | Alfa Aesar | 98% |
2,3-Difluorobenzyl alcohol | 75853-18- 8 | Alfa Aesar | 97% |
2,5-Difluorobenzyl alcohol | 75853-20- 2 | Alfa Aesar | 98% |
Benzaldehyde | 100-52-7 | Sigma-Aldrich | 99,5% |
Z-3-hexenol | 928-96-1 | Sigma-Aldrich | 98% |
Methyl salicylate | 119-36-8 | Sigma-Aldrich | 99% |
2-phenyl acetaldehyde | 122-78-1 | Sigma-Aldrich | 98% |
Benzyl methyl ether | 538-86-3 | Sigma-Aldrich | 98% |
Methyl benzoate | 93-58-3 | Acros organics | 97% |
Benzyl alcohol | 100-51-6 | Sigma-Aldrich | 99% |
Acetophenone | 98-86-2 | Acros organics | 99% |
E-2-hexenol | 928-95-0 | Sigma-Aldrich | 96% |
E-2-hexenal | 6728-26-3 | Sigma-Aldrich | 98% |
1-hexanol | 111-27-3 | Sigma-Aldrich | 98% |
1-heptanol | 111-70-6 | Sigma-Aldrich | 99% |
