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 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C[NH2+]CC=C1C(=O)NC2=C1C(OP(=O)([O-])[O-])=CC1OC21 gsh prediction

C[NH2+]CC=C1C(=O)NC2=C1C(OP(=O)([O-])[O-])=CC1OC21 protein prediction

C[NH2+]CC=C1C(=O)NC2=C1C(OP(=O)([O-])[O-])=CC1OC21 cyanide prediction

C[NH2+]CC=C1C(=O)NC2=C1C(OP(=O)([O-])[O-])=CC1OC21 dna prediction

Generation 3

dna · 0.24

*C1C=C(OP(=O)([O-])[O-])C2=C(NC(=O)C2=CC[NH2+]C)C1O |$DNA;;;;;;;;;;;;;;;;;;;;$|