Ambiguine i isonitrile

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ambiguine i isonitrile N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

[C-]#[N+]C12C3OC3C(C)(C)C(N)=C3c4c(O)cccc4C(C)(C)C(CCC1(C)C=C)C32O gsh prediction

[C-]#[N+]C12C3OC3C(C)(C)C(N)=C3c4c(O)cccc4C(C)(C)C(CCC1(C)C=C)C32O protein prediction

[C-]#[N+]C12C3OC3C(C)(C)C(N)=C3c4c(O)cccc4C(C)(C)C(CCC1(C)C=C)C32O cyanide prediction

[C-]#[N+]C12C3OC3C(C)(C)C(N)=C3c4c(O)cccc4C(C)(C)C(CCC1(C)C=C)C32O dna prediction

Generation 2

glutathionation · 0.38

*CCC1(C)CCC2C(C)(C)c3cccc(O)c3C3=C(N)C(C)(C)C4OC4C1([N+]#[C-])C32O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|