Substrate
/
Generation 1
/
Generation 2
XenoSite
Atropine
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CN1C2CCC1CC(OC(=O)C(CO)=C1C=CC=CC1=O)C2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC=CC1=C(CO)C(=O)OC1CC2CCC(C1)N2
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.
hydrolysis
Probability 0.61
0.61
hydrolysis
Probability 0.61
0.61
hydrolysis
Probability 0.61
0.61
Nor-psi-tropine
dehydration
Probability 0.51
0.51
15o
dehydration
Probability 0.51
0.51
Showing 5 of 81 metabolites
Show all