Substrate
/
Generation 1
XenoSite
Alclofenac
C=CCOc1ccc(CC(=O)O)cc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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C=CCOC12OC1C=C(CC(=O)O)C=C2Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
epoxidation
Probability 0.27
0.27
dealkylation
Probability 0.17
0.17
Acrylic acid
dealkylation
Probability 0.17
0.17
Acrolein
dealkylation
Probability 0.17
0.17
Allyl alcohol
dealkylation
Probability 0.17
0.17
Showing 5 of 68 metabolites
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