Substrate
/
Generation 1
/
Generation 2
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
Metadichlorobenzene
Clc1cccc(Cl)c1
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
C=CC(Cl)=CC(Cl)=C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.70
0.70
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epoxidation
Probability 0.32
0.32
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epoxidation
Probability 0.30
0.30
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