Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Reducymol
COc1ccc(C(O)(c2cncnc2)C2CC2)cc1
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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Generation 1
Show metabolites
COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12
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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
COc1ccc(C(O)(c2cncnc2)C2CC2)c2c1O2
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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
Show metabolites
COc1ccc(C(O)(C(C=N)=CN=CO)C2CC2)c2c1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.37
0.37
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dna
Probability 0.26
0.26
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glutathionation
Probability 0.13
0.13
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cyanide
Probability 0.02
0.02
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