Substrate
/
Generation 1
XenoSite
Aculene d
CCC1=CC(=O)C2(C)C(O)CC(C)=CCC12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCC1=CC(=O)C2(C)C(O)CC3(C)OC3CC12
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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 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.10
0.10
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hydroxylation
Probability 0.10
0.10
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dealkylation
Probability 0.03
0.03
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Formaldehyde
dealkylation
Probability 0.03
0.03
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dealkylation
Probability 0.03
0.03
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Methanol
Showing 5 of 9 metabolites
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