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

COC12OC1C(O)=C(C(=O)O)C(=C1C=C(O)C(=O)C=C1CO)C2=O UGT Conjugation prediction

Generation 4

glucuronidation · 0.32

*OCC1=CC(=O)C(O)=CC1=C1C(=O)C2(OC)OC2C(O)=C1C(=O)O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;$|