Substrate
/
Generation 1
/
Generation 2
XenoSite
Aporphine
CN1CCc2cccc3c2C1Cc1ccccc1-3
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
Show metabolites
CNC1Cc2ccccc2-c2cccc(CC=O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CNC1CC2=CC(=O)C=CC2=C2C(=O)C=CC(CC=O)=C21
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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
Select a metabolite to form the next generation.
dehydration
Probability 0.38
0.38
dehydration
Probability 0.38
0.38
15o
hydrogenation
Probability 0.38
0.38
oxygen reduction
Probability 0.38
0.38