Aspernigrin a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aspernigrin a stable oxygenation prediction

Aspernigrin a unstable oxygenation prediction

Aspernigrin a dehydrogenation prediction

Aspernigrin a reduction prediction

Aspernigrin a hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)c1c[nH]c(C(=O)c2ccccc2)cc1=O gsh prediction

NC(=O)c1c[nH]c(C(=O)c2ccccc2)cc1=O protein prediction

NC(=O)c1c[nH]c(C(=O)c2ccccc2)cc1=O cyanide prediction

NC(=O)c1c[nH]c(C(=O)c2ccccc2)cc1=O dna prediction

Generation 2

glutathionation · 0.10

*C1C(=O)C(C(N)=O)=CNC1=C(O)c1ccccc1 |$GSH;;;;;;;;;;;;;;;;;;$|