Substrate
/
Generation 1
/
Generation 2
XenoSite
Anthracene
c1ccc2cc3ccccc3cc2c1
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=C1C=Cc2cc3c(cc2=C1)C(=O)C=CC=3
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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=CC23OC2C2=CC=CC(=O)C2=CC3=C1
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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 0.57
0.57
15o
dehydration
Probability 0.57
0.57
hydrogenation
Probability 0.57
0.57
oxygen reduction
Probability 0.57
0.57
dehydration
Probability 0.34
0.34
15o
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