Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Baicalein
O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O)c12
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=c1cc(C2=CC3OC3C=C2)oc2cc([O-])c(O)c(O)c12
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
[O-]c1cc2c(c(O)c1O)C(O)C=C(C1=CC3OC3C=C1)O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1[CH-]C2=C(C(=O)C1=O)C(O)C=C(C1=CC3OC3C=C1)O2
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 0.28
0.28
glutathionation
Probability 0.22
0.22
dna
Probability 0.20
0.20
dna
Probability 0.18
0.18
protein
Probability 0.10
0.10
Showing 5 of 8 metabolites
Show all