Substrate
/
Generation 1
/
Generation 2
XenoSite
Agatharesinol
OCC(O)C(C=Cc1ccc(O)cc1)c1ccc(O)cc1
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
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O=C1C=C(O)C=CC1=C(C=Cc1ccc(O)cc1)C(O)CO
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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
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OCC(O)C(C=Cc1ccc(O)cc1)=C1C=CC(O)=CC1O
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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.
epoxidation
Probability 0.43
0.43
epoxidation
Probability 0.08
0.08
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.02
0.02
Showing 5 of 7 metabolites
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