Baeocystin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Baeocystin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[NH2+]CCC1=c2c(OP(=O)([O-])[O-])cccc2=NC1=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[NH2+]CCC(C(=O)O)=C1C(=N)C=CC=C1OP(=O)([O-])[O-] Epoxidation prediction

Generation 3

epoxidation · 0.05

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[NH2+]CCC(C(=O)O)=C1C(=N)C2OC2C=C1OP(=O)([O-])[O-]