Substrate
/
Generation 1
XenoSite
Antazoline
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
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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Toluene
Cc1ccccc1
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 0.51
0.51
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Benzyl alcohol
hydroxylation
Probability 0.24
0.24
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Paracresol
hydroxylation
Probability 0.13
0.13
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Orthocresol
hydroxylation
Probability 0.10
0.10
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Metacresol
epoxidation
Probability 0.06
0.06
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Showing 5 of 28 metabolites
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