Substrate
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Generation 1
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Generation 2
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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
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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
Show metabolites
C=C1C2=CC3OC3C=C2C=CC1O
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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 4
Select a metabolite to form the next generation.
dehydrogenation
Probability 0.74
0.74
hydrogenation
Probability 0.20
0.20
epoxidation
Probability 0.18
0.18
hydrogenation
Probability 0.17
0.17
hydrogenation
Probability 0.13
0.13
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