Substrate
/
Generation 1
/
Generation 2
XenoSite
Anthrachinon
O=C1c2ccccc2C(=O)c2ccccc21
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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O=c1ccc2c(=O)c3ccccc3c(=O)c=2c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=c1ccc2c(=O)c3c(c(=O)c=2c1=O)C1OC1C=C3
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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.
dehydration
Probability 0.27
0.27
15o
dehydration
Probability 0.27
0.27
hydrogenation
Probability 0.27
0.27
oxygen reduction
Probability 0.27
0.27
hydrogenation
Probability 0.12
0.12
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