Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Atropine
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
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
CN1C2CCC1CC(OC(=O)C(CO)C13C=CC=CC1O3)C2
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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 2
Show metabolites
O=CC(CO)C12C=CC=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
O=CC(CO)C12C=CC(=O)C(=O)C1O2
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.57
0.57
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dehydration
Probability 0.57
0.57
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15o
hydrogenation
Probability 0.57
0.57
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oxygen reduction
Probability 0.57
0.57
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dehydration
Probability 0.31
0.31
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15o
Showing 5 of 67 metabolites
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