Substrate
/
Generation 1
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=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
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.27
0.27
15o
dehydration
Probability 0.27
0.27
hydrogenation
Probability 0.27
0.27
oxygen reduction
Probability 0.27
0.27
epoxide opening
Probability 0.13
0.13
Showing 5 of 97 metabolites
Show all