Substrate
/
Generation 1
/
Generation 2
XenoSite
Alpha-naphthoic acid
O=C(O)c1cccc2ccccc12
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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
OC(O)c1cccc2ccccc12
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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
OC(O)C12OC1C=Cc1ccccc12
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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.
dealkylation
Probability 0.48
0.48
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1,2-epoxy-1,2-dihydro-naphthalene
dealkylation
Probability 0.48
0.48
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Carbonic acid
dealkylation
Probability 0.48
0.48
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Methanetriol
dealkylation
Probability 0.48
0.48
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dealkylation
Probability 0.48
0.48
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Methandiol
Showing 5 of 65 metabolites
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