Substrate
/
Generation 1
/
Generation 2
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
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
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Butanal
CCCC=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 2
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Butane
CCCC
CHEBI
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Description
▾
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 0.27
0.27
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Propyl carbinol
hydroxylation
Probability 0.27
0.27
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(2<i>s</i>)-butan-2-ol
dealkylation
Probability 0.02
0.02
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Tennesine hydride
dealkylation
Probability 0.02
0.02
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Formaldehyde
dealkylation
Probability 0.02
0.02
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Propane
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