Arisugacin d

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Arisugacin d Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1ccc(C23OC(=O)C4=C(OC5(C)CCC6(O)C(C)(C)C(OC(C)=O)CCC6(C)C5(O)C4)C2O3)cc1 stable oxygenation prediction

COc1ccc(C23OC(=O)C4=C(OC5(C)CCC6(O)C(C)(C)C(OC(C)=O)CCC6(C)C5(O)C4)C2O3)cc1 unstable oxygenation prediction

COc1ccc(C23OC(=O)C4=C(OC5(C)CCC6(O)C(C)(C)C(OC(C)=O)CCC6(C)C5(O)C4)C2O3)cc1 dehydrogenation prediction

COc1ccc(C23OC(=O)C4=C(OC5(C)CCC6(O)C(C)(C)C(OC(C)=O)CCC6(C)C5(O)C4)C2O3)cc1 reduction prediction

COc1ccc(C23OC(=O)C4=C(OC5(C)CCC6(O)C(C)(C)C(OC(C)=O)CCC6(C)C5(O)C4)C2O3)cc1 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 136 metabolites