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=C2C(CO)=CC3OC3C2=CC1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.38
0.38
glutathionation
Probability 0.34
0.34
dna
Probability 0.33
0.33
dna
Probability 0.29
0.29
protein
Probability 0.16
0.16
Showing 5 of 8 metabolites
Show all