Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Asnipyrone b
COc1cc(C=CC(C)=CC(C)=Cc2ccccc2)oc(=O)c1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COc1cc(C=CC(C)=CC2(C)OC2c2ccccc2)oc(=O)c1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COc1cc(C=CC(C)=CC2(C)OC2=C2C=CC=CC2=O)oc(=O)c1
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
CC(C=Cc1cc(O)cc(=O)o1)=CC1(C)OC1=C1C=CC=CC1=O
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.
protein
Probability 0.51
0.51
dna
Probability 0.27
0.27
protein
Probability 0.24
0.24
glutathionation
Probability 0.18
0.18
glutathionation
Probability 0.10
0.10
Showing 5 of 12 metabolites
Show all