Substrate
/
Generation 1
XenoSite
Anthracene
c1ccc2cc3ccccc3cc2c1
CHEBI
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Description
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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 1
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C1=CCc2cc3c(cc2=C1)C=CCC=3
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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
Select a metabolite to form the next generation.
dehydrogenation
Probability 0.51
0.51
Anthracene
hydroxylation
Probability 0.29
0.29
hydroxylation
Probability 0.29
0.29
hydroxylation
Probability 0.28
0.28
hydroxylation
Probability 0.28
0.28
Showing 5 of 63 metabolites
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