Substrate
/
Generation 1
/
Generation 2
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
About this model
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Generation 1
Show metabolites
2,6-dcp
Oc1c(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 2
Show metabolites
OC1=C(Cl)C=CC2OC12Cl
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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.
oxidative dehalogenation
Probability 0.36
0.36
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Acidum hydrochloricum
oxidative dehalogenation
Probability 0.36
0.36
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oxidative dehalogenation
Probability 0.14
0.14
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Acidum hydrochloricum
oxidative dehalogenation
Probability 0.14
0.14
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dehydration
Probability 0.10
0.10
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Showing 5 of 45 metabolites
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