Substrate
/
Generation 1
/
Generation 2
XenoSite
Arbutin
OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O
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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OCC1OC(OC2=CC3OC3(O)C=C2)C(O)C(O)C1O
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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 2
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OC=C1OC(OC2=CC3OC3(O)C=C2)C(O)C(O)C1O
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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 0.34
0.34
dna
Probability 0.27
0.27
protein
Probability 0.16
0.16
glutathionation
Probability 0.12
0.12
dna
Probability 0.03
0.03
Showing 5 of 8 metabolites
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