Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(C)(O)CCC12C=CC(O)=C3C(=O)c4c(cc5c(c4O)C4(O)C=COC4O5)OC31O2
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
CC(C)(O)CCC12C=CC(O)=C3Cc4c(cc5c(c4O)C4(O)C=COC4O5)OC31O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)(O)CCC12C=CC(O)=C3C=C4C(=O)C5=C(C=C4OC31O2)OC1OC=CC51O
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.
dna
Probability 0.08
0.08
protein
Probability 0.06
0.06
protein
Probability 0.05
0.05
dna
Probability 0.04
0.04
glutathionation
Probability 0.02
0.02
Showing 5 of 12 metabolites
Show all