Substrate
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Generation 1
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Generation 2
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Generation 3
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
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Generation 1
Show metabolites
O=C(O)C1=c2ccccc2=CC2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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OCC1=c2ccccc2=CC2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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O=C1C=CC(=O)C2=C(CO)C3OC3C=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.51
0.51
protein
Probability 0.51
0.51
glutathionation
Probability 0.46
0.46
glutathionation
Probability 0.42
0.42
glutathionation
Probability 0.42
0.42
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