Ananolignan i

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ananolignan i Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCC(=O)OC1C2=C(C(=O)C(=O)C(OC)=C2)c2c(cc(OC)c(OC)c2OC)C(OC(C)=O)C(C)C1C gsh prediction

CCCC(=O)OC1C2=C(C(=O)C(=O)C(OC)=C2)c2c(cc(OC)c(OC)c2OC)C(OC(C)=O)C(C)C1C protein prediction

CCCC(=O)OC1C2=C(C(=O)C(=O)C(OC)=C2)c2c(cc(OC)c(OC)c2OC)C(OC(C)=O)C(C)C1C cyanide prediction

CCCC(=O)OC1C2=C(C(=O)C(=O)C(OC)=C2)c2c(cc(OC)c(OC)c2OC)C(OC(C)=O)C(C)C1C dna prediction

Generation 2

Select a metabolite to form the next generation.