Substrate
/
Generation 1
/
Generation 2
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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.09
0.09
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epoxidation
Probability 0.06
0.06
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dealkylation
Probability 0.01
0.01
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dealkylation
Probability 0.01
0.01
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hydrogenation
Probability 0.00
0.00
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Showing 5 of 6 metabolites
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