Substrate
/
Generation 1
/
Generation 2
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
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
Oc1cc(O)c2c(c1)OC(O)(Cc1ccc(O)c(O)c1)C2O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
OC1=CC2(O)OC23C(=C1)OC(O)(Cc1ccc(O)c(O)c1)C3O
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.
dna
Probability 0.28
0.28
glutathionation
Probability 0.14
0.14
protein
Probability 0.12
0.12
glutathionation
Probability 0.01
0.01
protein
Probability 0.00
0.00
Showing 5 of 8 metabolites
Show all