Substrate
/
Generation 1
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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OCC(O)C(C=CC1=CC=C(O)C2OC12)c1ccc(O)cc1
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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
Select a metabolite to form the next generation.
hydrogenation
Probability 0.12
0.12
hydrogenation
Probability 0.12
0.12
hydroxylation
Probability 0.04
0.04
dealkylation
Probability 0.03
0.03
dealkylation
Probability 0.03
0.03
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