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
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Generation 1
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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
Select a metabolite to form the next generation.
epoxidation
Probability 0.50
0.50
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Epoxypropane
hydroxylation
Probability 0.45
0.45
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Allyl alcohol
hydroxylation
Probability 0.38
0.38
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hydroxylation
Probability 0.12
0.12
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hydrogenation
Probability 0.12
0.12
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Propane
Showing 5 of 9 metabolites
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