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)C2=NC(CS2)C2OC2(C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C gsh prediction

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(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C protein prediction

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(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C cyanide prediction

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(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C dna prediction

Generation 2

glutathionation · 0.02

*C1(C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N(C)C(C(C)CC)C(=O)N2CCCC2C(=O)OC(C(C)CC(C)(C)C)CC(C)CC(O)C(C)C2=NC(CS2)C1O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|