Substrate
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Generation 1
XenoSite
Aspermutarubrol
Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Homocatechol
Cc1ccc(O)c(O)c1
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 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.35
0.35
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Protocatechuic alcohol
hydroxylation
Probability 0.07
0.07
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2,4,5-trihydroxytoluene
hydroxylation
Probability 0.05
0.05
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hydroxylation
Probability 0.03
0.03
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dehydrogenation
Probability 0.03
0.03
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Showing 5 of 45 metabolites
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