Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Abyssinone a
CC1(C)C=Cc2cc(C=CC(=O)c3ccc(O)cc3O)cc(O)c2O1
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
CC1(C)C=Cc2cc(C=CC(=O)C3=CC(=O)C(O)=CC3=O)cc(O)c2O1
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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
CC1(C)C=Cc2cc(C=CCC3=CC(=O)C(O)=CC3=O)cc(O)c2O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC1(C)C=CC2=CC(C=CCC3=CC(=O)C(O)=CC3=O)=CC3(O)OC23O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.56
0.56
protein
Probability 0.39
0.39
glutathionation
Probability 0.32
0.32
dna
Probability 0.12
0.12
protein
Probability 0.12
0.12
Showing 5 of 16 metabolites
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