Ambutyrosin a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ambutyrosin a N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NCCC(O)C(=O)NC1CC(N)C(OC2OC(C(=O)O)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O stable oxygenation prediction

NCCC(O)C(=O)NC1CC(N)C(OC2OC(C(=O)O)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O unstable oxygenation prediction

NCCC(O)C(=O)NC1CC(N)C(OC2OC(C(=O)O)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O dehydrogenation prediction

NCCC(O)C(=O)NC1CC(N)C(OC2OC(C(=O)O)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O reduction prediction

NCCC(O)C(=O)NC1CC(N)C(OC2OC(C(=O)O)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O hydrolysis prediction

Generation 2

(3<i>s</i>,4<i>r</i>,5<i>r</i>)-3,4-dihydroxy-5-(hydroxymethyl)dihydro-2(3<em>h</em>)-furanone

dealkylation · 0.11

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

(3<i>s</i>,4<i>r</i>,5<i>r</i>)-3,4-dihydroxy-5-(hydroxymethyl)dihydro-2(3<em>h</em>)-furanone