Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetylated dihydrocoumaric acid
CC(=O)Oc1ccc(CCC(=O)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
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Generation 1
Show metabolites
CC(=O)OC1=CC2OC2(CCC(=O)O)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
O=C(O)CCC12C=CC(=O)C(=O)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.21
0.21
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epoxidation
Probability 0.01
0.01
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