Substrate
/
Generation 1
/
Generation 2
XenoSite
Backebergine
COc1cc2ccncc2cc1OC
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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Generation 1
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COC12C=c3ccncc3=CC1(OC)O2
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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
COC12C=C(C=N)C(C=C=O)=CC1(OC)O2
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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.
dehydration
Probability 0.47
0.47
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dehydration
Probability 0.47
0.47
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15o
hydrogenation
Probability 0.47
0.47
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oxygen reduction
Probability 0.47
0.47
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hydrogenation
Probability 0.45
0.45
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Showing 5 of 61 metabolites
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