Substrate
/
Generation 1
/
Generation 2
XenoSite
Asperlicin e
O=C1c2ccccc2-n2c(nc3ccccc3c2=O)C2CC3(O)c4ccccc4NC3N12
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=C1NC(CC2(O)c3ccccc3NC2O)c2nc3ccccc3c(=O)n2-c2ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1NC(CC2(O)c3ccccc3NC2O)c2nc3c(c(=O)n2-c2ccccc21)=CC1OC1C=3
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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.
hydroxylation
Probability 0.08
0.08
hydroxylation
Probability 0.07
0.07
dealkylation
Probability 0.07
0.07
dealkylation
Probability 0.07
0.07
dehydration
Probability 0.06
0.06
15o
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