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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OCC(O)C(c1ccc(O)cc1)C1OC1c1ccc(O)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC(=C2OC2C(c2ccc(O)cc2)C(O)CO)C=C1
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.54
0.54
15o
dehydration
Probability 0.54
0.54
hydrogenation
Probability 0.54
0.54
oxygen reduction
Probability 0.54
0.54
epoxide opening
Probability 0.17
0.17
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