Substrate
/
Generation 1
/
Generation 2
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
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Generation 1
Show metabolites
Propene
C=CC
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
Allyl alcohol
C=CCO
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.30
0.30
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epoxidation
Probability 0.26
0.26
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(<i>s</i>)-(−)-2,3-epoxy-1-propanol
hydrogenation
Probability 0.24
0.24
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Propanol
hydroxylation
Probability 0.09
0.09
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hydroxylation
Probability 0.06
0.06
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Showing 5 of 13 metabolites
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