Apratoxin d

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Apratoxin d Epoxidation 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)C23ON2C(C=C(C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C)CS3 UGT Conjugation prediction

Generation 2

glucuronidation · 0.97

*OC1CC(C)CC(C(C)CC(C)(C)C)OC(=O)C2CCCN2C(=O)C(C(C)CC)N(C)C(=O)C(C)N(C)C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(C)=CC2CSC3(ON23)C1C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|