Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc([SH](=O)(O)O)cc4)ccnc23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=C(c2ccc([SH](=O)(O)O)cc2)C2=CC(=O)c3c(-c4ccc(S(=O)(=O)O)cc4)ccnc3C2=N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=C(c2ccc([SH](=O)(O)O)cc2)C2=CC(=O)C3=C(c4ccc(S(=O)(=O)O)cc4)C4OC4N=C3C2=N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
dealkylation
Probability 0.93
0.93
dealkylation
Probability 0.93
0.93
dealkylation
Probability 0.05
0.05