Substrate
/
Generation 1
/
Generation 2
XenoSite
Altenusin
COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2C)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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COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2CO)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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COC1=CC(O)=C(C(=O)O)C(=C2C=C(O)C(=O)C=C2CO)C1=O
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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 0.70
0.70
protein
Probability 0.38
0.38
protein
Probability 0.34
0.34
glutathionation
Probability 0.19
0.19
dna
Probability 0.08
0.08
Showing 5 of 8 metabolites
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