Arachidonoylserotonin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Arachidonoylserotonin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 stable oxygenation prediction

CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 unstable oxygenation prediction

CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 dehydrogenation prediction

CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 reduction prediction

CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 hydrolysis prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 gsh prediction

CCCCCCCCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 protein prediction

CCCCCCCCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 cyanide prediction

CCCCCCCCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21 dna prediction

Generation 4

dna · 0.19

*C(CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21)C(O)CC=CCCCCCCCC |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|