Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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
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Generation 1
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O=S(=O)(O)c1ccc(C2=c3ccc4c(-c5ccc(S(=O)(=O)O)cc5)ccnc4c3=NC3OC23)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(S(=O)(=O)O)C=CC1=C1C(=O)C=Nc2c1ccc1c2=NC2OC2C=1c1ccc(S(=O)(=O)O)cc1
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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
Show metabolites
O=C1C=Nc2c(ccc3c2=NC2OC2C=3c2ccc(S(=O)(=O)O)cc2)C1=C1C=CC(S(=O)(=O)O)=CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Show metabolites
N=C1C(=C(c2ccc(S(=O)(=O)O)cc2)C2OC2O)C=CC2=C1N=CC(=O)C2=C1C=CC(S(=O)(=O)O)=CC1
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dealkylation · 0.93
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation