Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Alpha-naphthoic acid
O=C(O)c1cccc2ccccc12
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=C(O)C1=CC2OC2c2ccccc21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
OCC1=CC2OC2c2ccccc21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=CC2=C(C1=O)C(CO)=CC1OC21
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
dehydration
Probability 0.45
0.45
15o
dehydration
Probability 0.45
0.45
hydrogenation
Probability 0.45
0.45
oxygen reduction
Probability 0.45
0.45
dehydration
Probability 0.36
0.36
15o
Showing 5 of 64 metabolites
Show all