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

COC1=CC2OC2(c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C(OC(C)=O)CCC24C)O3)C=C1 stable oxygenation prediction

COC1=CC2OC2(c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C(OC(C)=O)CCC24C)O3)C=C1 unstable oxygenation prediction

COC1=CC2OC2(c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C(OC(C)=O)CCC24C)O3)C=C1 dehydrogenation prediction

COC1=CC2OC2(c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C(OC(C)=O)CCC24C)O3)C=C1 reduction prediction

COC1=CC2OC2(c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C(OC(C)=O)CCC24C)O3)C=C1 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 139 metabolites