Substrate
/
Generation 1
/
Generation 2
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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O=S(=O)(O)C1=CC=C(c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C(=O)c2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2-c2nccc(C3=CC=C(S(=O)(=O)O)C4OC34)c21
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.27
0.27
15o
dehydration
Probability 0.27
0.27
hydrogenation
Probability 0.27
0.27
oxygen reduction
Probability 0.27
0.27
dehydration
Probability 0.14
0.14
15o
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