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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Desmethylaltenusin
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Cc1cc(O)c(O)cc1C1=CC2(O)OC2C(O)=C1C(=O)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.
dna
Probability 0.46
0.46
protein
Probability 0.32
0.32
glutathionation
Probability 0.32
0.32
glutathionation
Probability 0.27
0.27
protein
Probability 0.05
0.05
Showing 5 of 8 metabolites
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