Substrate
/
Generation 1
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Generation 2
XenoSite
Alisiaquinone a
CC12CCCC3(C)c4cc5c(cc4C(=O)C(O)(OC1)C23)C(=O)C=CC5=O
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
CC12CCCC3(C)C1C(O)(OC2)C(=O)C1=CC2=C(C(=O)C=CC2=O)C2OC123
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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
Show metabolites
CC12CCCC3(C)C1C(O)(OC2)C(=O)C1=CC2=C(C(=O)C=CC2O)C2OC123
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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.
glucuronidation
Probability 0.70
0.70
glucuronidation
Probability 0.31
0.31