Substrate
/
Generation 1
/
Generation 2
XenoSite
Bathophenanthrolin
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
Oc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
OC12C=CC(c3ccnc4c3ccc3c(-c5ccccc5)ccnc34)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.17
0.17
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hydroxylation
Probability 0.14
0.14
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hydroxylation
Probability 0.10
0.10
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epoxide opening
Probability 0.10
0.10
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epoxide opening
Probability 0.10
0.10
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Showing 5 of 202 metabolites
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