Substrate
/
Generation 1
/
Generation 2
XenoSite
Tolfenamic acid
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
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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CC1=C(Nc2ccccc2C(=O)O)C=CC2OC12Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Benzoic acid
O=C(O)c1ccccc1
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 0.18
0.18
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P-hydroxybenzoic acid
hydrogenation
Probability 0.16
0.16
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hydroxylation
Probability 0.07
0.07
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M-hydroxybenzoic acid
hydroxylation
Probability 0.03
0.03
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Salicylic acid
epoxidation
Probability 0.02
0.02
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Showing 5 of 32 metabolites
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