Apratoxin d

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Apratoxin d Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)CC(C)(C)C)CC(C)CC(O)C(C)C2=NC(C=C(C)C(=O)NC(C=C3C=CC(OC)=CC3=O)C(=O)N(C)C(C)C(=O)N1C)CS2 Epoxidation prediction

Generation 2

epoxidation · 0.05

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)CC(C)(C)C)CC(C)CC(O)C(C)C2=NC(CS2)C2OC2(C)C(=O)NC(C=C2C=CC(OC)=CC2=O)C(=O)N(C)C(C)C(=O)N1C