Substrate
/
Generation 1
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
Acetone
CC(C)=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.55
0.55
Propane
dehydration
Probability 0.55
0.55
15o
hydrogenation
Probability 0.55
0.55
Isopropanol
oxygen reduction
Probability 0.55
0.55
Isopropanol
hydroxylation
Probability 0.31
0.31
Hydroxyacetone
Showing 5 of 8 metabolites
Show all