Substrate
/
Generation 1
/
Generation 2
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
CHEBI
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Description
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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 1
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O=C(Cc1ccc(O)c(O)c1)C(=O)c1c(O)cc(O)cc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(C=C1C=CC(=O)C(O)=C1)C(=O)c1c(O)cc(O)cc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.50
0.50
protein
Probability 0.49
0.49
protein
Probability 0.27
0.27
dna
Probability 0.24
0.24
glutathionation
Probability 0.20
0.20
Showing 5 of 8 metabolites
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