Substrate
/
Generation 1
/
Generation 2
XenoSite
Aculene d
CCC1=CC(=O)C2(C)C(O)CC(C)=CCC12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
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
Show metabolites
An oxidized polyvinyl alcohol
CC=O
CHEBI
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Description
▾
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 0.66
0.66
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A polyvinyl alcohol
hydroxylation
Probability 0.13
0.13
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Glycolaldehyde
hydroxylation
Probability 0.03
0.03
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(11c)acetic acid
dealkylation
Probability 0.02
0.02
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Formaldehyde
dealkylation
Probability 0.02
0.02
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Methanol
Showing 5 of 8 metabolites
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