Substrate
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Generation 1
/
Generation 2
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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Generation 1
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CC(=O)n1cc(O)c2c1C=CC1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1N=C2C=CC3OC3C2=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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.24
0.24
dehydration
Probability 0.21
0.21
15o
dehydration
Probability 0.21
0.21
hydrogenation
Probability 0.21
0.21
oxygen reduction
Probability 0.21
0.21
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