Substrate
/
Generation 1
/
Generation 2
XenoSite
Angenomalin
C=C(C)C1Cc2c(ccc3ccc(=O)oc23)O1
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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C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12
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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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C=C(CO)C1CC2=C(O1)C1OC1c1ccc(=O)oc12
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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 0.55
0.55
dna
Probability 0.44
0.44
glutathionation
Probability 0.38
0.38
dna
Probability 0.31
0.31
glutathionation
Probability 0.31
0.31
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