Substrate
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Generation 1
/
Generation 2
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
CHEBI
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Description
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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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Oc1cc(O)c2c(c1)OC(O)(Cc1ccc(O)c(O)c1)C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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OC1=CC2(O)OC23C(=C1)OC(O)(Cc1ccc(O)c(O)c1)C3O
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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 0.50
0.50
glucuronidation
Probability 0.49
0.49
glucuronidation
Probability 0.45
0.45
glucuronidation
Probability 0.03
0.03
glucuronidation
Probability 0.02
0.02
Showing 5 of 6 metabolites
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