Substrate
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Generation 1
XenoSite
Troglitazone
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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CC1=C(C)C(=O)C(CCC(C)COc2ccc(CC3SC(=O)NC3=O)cc2)=C(C)C1=O
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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.
hydrogenation
Probability 0.22
0.22
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hydrogenation
Probability 0.21
0.21
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5-({4-[4-(3-hydroxy-2,4,5-trimethyl-6-oxocyclohexa-1,4-dien-1-yl)-2-methylbutoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
dealkylation
Probability 0.18
0.18
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dealkylation
Probability 0.18
0.18
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dealkylation
Probability 0.18
0.18
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Showing 5 of 130 metabolites
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