Substrate
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Generation 1
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Generation 2
XenoSite
Abyssinone a
CC1(C)C=Cc2cc(C=CC(=O)c3ccc(O)cc3O)cc(O)c2O1
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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Generation 1
Show metabolites
CC1(C)Oc2c(O)cc(C=CC(=O)c3ccc(O)cc3O)cc2C2OC21
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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 2
Show metabolites
CC1(C)Oc2c(O)cc(CCC(=O)c3ccc(O)cc3O)cc2C2OC21
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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 0.80
0.80
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dna
Probability 0.49
0.49
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protein
Probability 0.18
0.18
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cyanide
Probability 0.00
0.00
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