Substrate
/
Generation 1
/
Generation 2
XenoSite
Alisiaquinone a
CC12CCCC3(C)c4cc5c(cc4C(=O)C(O)(OC1)C23)C(=O)C=CC5=O
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
Show metabolites
CC12CCCC3(C)C1C(O)(OC2)C(=O)C1=CC2=C(C(=O)C=CC2=O)C2OC123
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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 2
Show metabolites
CC12CCCC3(C)C1C(O)(OC2)C(=O)C1=CC2=C(C(=O)C=CC2)C2OC123
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.28
0.28
glutathionation
Probability 0.24
0.24
dna
Probability 0.14
0.14
glutathionation
Probability 0.11
0.11
dna
Probability 0.06
0.06
Showing 5 of 16 metabolites
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