Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CC(=O)OC1CC2OC23CCN2Cc4cc5c(cc4C1C23)OCO5
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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 2
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CC(=O)OC1CC2OC23CCN2Cc4cc(O)c(OC(=O)O)cc4C1C23
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.89
0.89
dealkylation
Probability 0.89
0.89
dealkylation
Probability 0.89
0.89
dealkylation
Probability 0.75
0.75
dealkylation
Probability 0.75
0.75
Showing 5 of 8 metabolites
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