Substrate
/
Generation 1
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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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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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.27
0.27
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3,5-dichlorophenol
hydroxylation
Probability 0.26
0.26
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2,4-dichlorophenol
hydroxylation
Probability 0.25
0.25
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2,6-dcp
epoxidation
Probability 0.05
0.05
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epoxidation
Probability 0.04
0.04
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Showing 5 of 27 metabolites
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