Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Aporphine
CN1CCc2cccc3c2C1Cc1ccccc1-3
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
CN1CCc2cccc3c2C1CC1=CC2OC2C=C13
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CN1CCC2=CC(=O)C=C3C4=CC5OC5C=C4CC1=C23
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
CNC1=C2C(CC(=O)O)=CC(=O)C=C2C2=CC3OC3C=C2C1
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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 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.44
0.44
Formaldehyde
dealkylation
Probability 0.44
0.44
Methanol
dealkylation
Probability 0.44
0.44
dealkylation
Probability 0.44
0.44
Formic acid
dehydrogenation
Probability 0.00
0.00