Substrate
/
Generation 1
/
Generation 2
XenoSite
Aspermutarubrol
Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)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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Cc1cc(O)c(O)c(Oc2cc(CO)cc(O)c2O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC1=CC2(Oc3cc(CO)cc(O)c3O)OC2(O)C(O)=C1
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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 0.36
0.36
protein
Probability 0.35
0.35
dna
Probability 0.12
0.12
protein
Probability 0.08
0.08
dna
Probability 0.08
0.08
Showing 5 of 8 metabolites
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