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 UGT Conjugation prediction

Generation 2

glucuronidation · 0.88

*Oc1cccc2c1C1=C(N)C(C)(C)C3OC3C3([N+]#[C-])C(C)(C=C)CCC(C2(C)C)C13O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|