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 · 0.09

*OC12Cc3c(cc(-c4ccc(O)cc4)oc3=O)OC1(C)CCC1(O)C(C)(C)C=CC(=O)C12C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|