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
Generation 1
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O=C(O)c1cccc2c1C1OC1C=C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=C2C=CC3OC3=C2C(C(=O)O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.49
0.49
protein
Probability 0.33
0.33
protein
Probability 0.30
0.30
dna
Probability 0.19
0.19
glutathionation
Probability 0.13
0.13
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