Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Alpha-methylnaphthalene
Cc1cccc2ccccc12
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
Cc1cccc2c1=CC1OC1C=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C=C1C(=O)C=CC2=CC3OC3C=C12
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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 3
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C=C1C(=O)C=CC2=CC3OC3C3OC123
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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.
glutathionation
Probability 0.57
0.57
protein
Probability 0.51
0.51
dna
Probability 0.41
0.41
dna
Probability 0.33
0.33
dna
Probability 0.32
0.32
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