Aporphine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aporphine N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNC1Cc2ccccc2-c2cccc(CC(=O)O)c21 stable oxygenation prediction

CNC1Cc2ccccc2-c2cccc(CC(=O)O)c21 unstable oxygenation prediction

CNC1Cc2ccccc2-c2cccc(CC(=O)O)c21 dehydrogenation prediction

CNC1Cc2ccccc2-c2cccc(CC(=O)O)c21 reduction prediction

CNC1Cc2ccccc2-c2cccc(CC(=O)O)c21 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNC1Cc2cc(O)ccc2-c2cccc(CC(=O)O)c21 UGT Conjugation prediction

Generation 3

glucuronidation · 0.73

*Oc1ccc2c(c1)CC(NC)c1c(CC(=O)O)cccc1-2 |$GlcA;;;;;;;;;;;;;;;;;;;;;$|