Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 stable oxygenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 unstable oxygenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 dehydrogenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 reduction prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1Cc2c(ccc(C3OC3C(=O)O)c2O)O1 gsh prediction

C=C(C)C1Cc2c(ccc(C3OC3C(=O)O)c2O)O1 protein prediction

C=C(C)C1Cc2c(ccc(C3OC3C(=O)O)c2O)O1 cyanide prediction

C=C(C)C1Cc2c(ccc(C3OC3C(=O)O)c2O)O1 dna prediction

Generation 3

dna · 0.57

*C(c1ccc2c(c1O)CC(C(=C)C)O2)C(O)C(=O)O |$DNA;;;;;;;;;;;;;;;;;;;$|