Substrate
/
Generation 1
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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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
C=Cc1cc2ccccc2cc1C=C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
C=Cc1cc2c(cc1C=C=O)=CC(=O)C(=O)C=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.65
0.65
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protein
Probability 0.43
0.43
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dna
Probability 0.29
0.29
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cyanide
Probability 0.04
0.04
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