Arisugacin b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Arisugacin b stable oxygenation prediction

Arisugacin b unstable oxygenation prediction

Arisugacin b dehydrogenation prediction

Arisugacin b reduction prediction

Arisugacin b hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C)C=CC(=O)C2(C)C1(O)CCC1(C)Oc3cc(-c4ccc(O)cc4)oc(=O)c3CC12O UGT Conjugation prediction

Generation 2

glucuronidation · 0.11

*OC12CCC3(C)Oc4cc(-c5ccc(O)cc5)oc(=O)c4CC3(O)C1(C)C(=O)C=CC2(C)C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|