Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Alizarin cyanin bbs free acid
O=C1c2c(O)c(O)c(S(=O)(=O)O)c(O)c2C(=O)c2c(O)c(O)c(S(=O)(=O)O)c(O)c21
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=c1c(S(=O)(=O)O)c(O)c2c(=O)c3c(O)c(O)c(S(=O)(=O)O)c(O)c3c(=O)c=2c1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C(=O)C2(S(=O)(=O)O)OC2(O)C2=C1C(=O)c1c(O)c(S(=O)(=O)O)c(O)c(O)c1C2=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Show metabolites
O=C1C2=C(C(=O)c3c(O)c(S(=O)(=O)O)c(O)c(O)c31)C(O)C(=O)C1(S(=O)(=O)O)OC21O
Copy JSON
hydrogenation · 0.11
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation