XenoSite

Apratoxin d

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Apratoxin d Quinonation prediction
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 N-Dealkylation prediction
CCC(C)C1C(=O)NC(CCC=O)C(=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 stable oxygenation prediction
CCC(C)C1C(=O)NC(CCC=O)C(=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 unstable oxygenation prediction
CCC(C)C1C(=O)NC(CCC=O)C(=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 dehydrogenation prediction
CCC(C)C1C(=O)NC(CCC=O)C(=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 reduction prediction
CCC(C)C1C(=O)NC(CCC=O)C(=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 hydrolysis prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(C=C1C=CC(OC)=CC1=O)NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1 Epoxidation prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1)C1OC12C=CC(OC)=CC2=O stable oxygenation prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1)C1OC12C=CC(OC)=CC2=O unstable oxygenation prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1)C1OC12C=CC(OC)=CC2=O dehydrogenation prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1)C1OC12C=CC(OC)=CC2=O reduction prediction
CCC(C)C(C(=O)NC(C=O)CCC=O)N(C)C(=O)C(C)N(C)C(=O)C(NC(=O)C(C)=CC1CSC(C(C)C(O)CC(C)CC(O)C(C)CC(C)(C)C)=N1)C1OC12C=CC(OC)=CC2=O hydrolysis prediction

Maximum generation reached — metabolites here can't start another hop.

Showing 5 of 295 metabolites

Probability scale from 0.0 to 1.0