Substrate
/
Generation 1
/
Generation 2
XenoSite
Alpha-cyclopiazonate
CC(O)=C1C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O
CHEBI
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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 1
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CC(O)=C1CC2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC(O)=C1CC2C3c4c[nH]c5c4=C(CC3C(C)(C)N2C1=O)C1OC1C=5
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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.
glutathionation
Probability 0.32
0.32
dna
Probability 0.31
0.31
glutathionation
Probability 0.26
0.26
dna
Probability 0.22
0.22
protein
Probability 0.14
0.14
Showing 5 of 8 metabolites
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