Substrate
/
Generation 1
/
Generation 2
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1
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 1
Show metabolites
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc([SH](=O)(O)O)cc4)ccnc23)cc1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=C(c2ccc([SH](=O)(O)O)cc2)C2=CC(=O)c3c(-c4ccc(S(=O)(=O)O)cc4)ccnc3C2=N1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.31
0.31
protein
Probability 0.20
0.20
glutathionation
Probability 0.16
0.16
dna
Probability 0.07
0.07
glutathionation
Probability 0.02
0.02
Showing 5 of 6 metabolites
Show all