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=C1C2=CC=CC3OC23C(=O)c2ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=C2C(=O)C3=CC=CC4OC34C(=O)C2=CC1=O
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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 0.48
0.48
15o
dehydration
Probability 0.48
0.48
hydrogenation
Probability 0.48
0.48
oxygen reduction
Probability 0.48
0.48
dehydration
Probability 0.31
0.31
15o
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