Altenusin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Altenusin stable oxygenation prediction

Altenusin unstable oxygenation prediction

Altenusin dehydrogenation prediction

Altenusin reduction prediction

Altenusin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2CO)c1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC(O)=C(C(=O)O)C(=C2C=C(O)C(=O)C=C2CO)C1=O Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC2(O)OC2(C(=O)O)C(=C2C=C(O)C(=O)C=C2CO)C1=O UGT Conjugation prediction

Generation 4

glucuronidation · 0.48

*OC1=CC(=C2C(=O)C(OC)=CC3(O)OC23C(=O)O)C(CO)=CC1=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;$|