Substrate
/
Generation 1
/
Generation 2
XenoSite
Acemetacin
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COC12C=Cc3c(c(CC(=O)OCC(=O)O)c(C)n3C(=O)c3ccc(Cl)cc3)C1O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C=c1c(=CC(=O)OCC(=O)O)c2c(n1C(=O)c1ccc(Cl)cc1)C=CC1(OC)OC21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.15
0.15
epoxidation
Probability 0.12
0.12
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
Showing 5 of 7 metabolites
Show all