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 · 0.17

*C1C(O)C2([N+]#[C-])C(C)(C=C)CCC3C(C)(C)c4cccc(O)c4C(=C(N)C1(C)C)C32O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|