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+]CC=C1C(=O)Nc2cccc(OP(=O)([O-])[O-])c21 stable oxygenation prediction

C[NH2+]CC=C1C(=O)Nc2cccc(OP(=O)([O-])[O-])c21 unstable oxygenation prediction

C[NH2+]CC=C1C(=O)Nc2cccc(OP(=O)([O-])[O-])c21 dehydrogenation prediction

C[NH2+]CC=C1C(=O)Nc2cccc(OP(=O)([O-])[O-])c21 reduction prediction

C[NH2+]CC=C1C(=O)Nc2cccc(OP(=O)([O-])[O-])c21 hydrolysis prediction

Generation 2

Formaldehyde

dealkylation · 0.25

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formaldehyde