Substrate
/
Generation 1
/
Generation 2
XenoSite
Amiodaronum
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCCCC1=C(C(=O)c2cc(I)c(OCCN(CC)CC)c(I)c2)C2=CC=CC3OC23O1
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
CCCCC1=C(C(=O)c2cc(I)c(OCCNCC)c(I)c2)C2=CC=CC3OC23O1
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.
glutathionation
Probability 0.20
0.20
dna
Probability 0.17
0.17
protein
Probability 0.11
0.11
dna
Probability 0.10
0.10
protein
Probability 0.08
0.08
Showing 5 of 16 metabolites
Show all