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)C4=CC56OC5(C=C4C(=O)C(O)(OC1)C23)C(=O)C=CC6=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 2
Show metabolites
CC12CCCC3(C)C4=CC56OC5(C=C4C(=O)C(O)(OC1)C23)CC=CC6=O
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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.
dna
Probability 0.17
0.17
protein
Probability 0.16
0.16
glutathionation
Probability 0.08
0.08
dna
Probability 0.04
0.04
glutathionation
Probability 0.03
0.03
Showing 5 of 16 metabolites
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