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
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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
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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
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CC1(C)C=Cc2cc(C=CCC34OC3C(=O)C(O)=CC4=O)cc(O)c2O1
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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 0.29
0.29
protein
Probability 0.20
0.20
glutathionation
Probability 0.09
0.09
dna
Probability 0.05
0.05
protein
Probability 0.04
0.04
Showing 5 of 12 metabolites
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