Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Acetylindoxyl
CC(=O)n1cc(O)c2ccccc21
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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Indoxyl
Oc1c[nH]c2ccccc12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Nc1ccccc1C(O)=CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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NC1=C(C(O)=CO)C2OC2C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.58
0.58
glutathionation
Probability 0.45
0.45
dna
Probability 0.34
0.34
dna
Probability 0.26
0.26
protein
Probability 0.17
0.17
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