Substrate
/
Generation 1
/
Generation 2
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)C1=C(OCC(O)CNC(C)C)C=CC(=N)C1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=O)C1=C(OCC(O)CNC(C)C)C2OC2C(=N)C1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.49
0.49
dehydration
Probability 0.31
0.31
dehydration
Probability 0.31
0.31
15o
hydrogenation
Probability 0.31
0.31
oxygen reduction
Probability 0.31
0.31
Showing 5 of 81 metabolites
Show all