Bacillaene

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bacillaene Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=CC=CC=CC(C)C(=O)O)NC(=O)CC(O)C(C)=CC=CC1OC1(C)C=CC=CC=CCNC(=O)C(O)CC(C)C N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=CC=CC1OC1(C)C=CC=CC=CCNC(=O)C(O)CC(C)C)C(O)CC(N)=O gsh prediction

CC(=CC=CC1OC1(C)C=CC=CC=CCNC(=O)C(O)CC(C)C)C(O)CC(N)=O protein prediction

CC(=CC=CC1OC1(C)C=CC=CC=CCNC(=O)C(O)CC(C)C)C(O)CC(N)=O cyanide prediction

CC(=CC=CC1OC1(C)C=CC=CC=CCNC(=O)C(O)CC(C)C)C(O)CC(N)=O dna prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 8 metabolites