Substrate
/
Generation 1
/
Generation 2
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
About this model
Generation 1
Show metabolites
CCC12OC1C(=O)C1(C)C(O)CC(C)=CCC21
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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
Show metabolites
CCC12OC1CC1(C)C(O)CC(C)=CCC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.29
0.29
dna
Probability 0.23
0.23
protein
Probability 0.10
0.10
glutathionation
Probability 0.04
0.04
cyanide
Probability 0.04
0.04
Showing 5 of 8 metabolites
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