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)c1ccc(-c2ccnc3c2ccc2c(C4=CC5OC5(S(=O)(=O)O)C=C4)ccnc23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C1C(=C(C=C=O)C2=CC3OC3(S(=O)(=O)O)C=C2)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21
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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.
epoxide opening
Probability 0.18
0.18
epoxide opening
Probability 0.18
0.18
dehydration
Probability 0.15
0.15
dehydration
Probability 0.15
0.15
15o
hydrogenation
Probability 0.15
0.15
Showing 5 of 163 metabolites
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