Substrate
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Generation 1
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Generation 2
XenoSite
Alpha-cyclopiazonate
CC(O)=C1C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O
CHEBI
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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 1
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CC(O)=C1CC2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC(O)=C1CC2C3c4c[nH]c5c4C(=CC4OC54)CC3C(C)(C)N2C1=O
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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 0.06
0.06
dealkylation
Probability 0.04
0.04
dealkylation
Probability 0.01
0.01
dealkylation
Probability 0.01
0.01
dealkylation
Probability 0.00
0.00
Showing 5 of 7 metabolites
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