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
Generation 1
Show metabolites
CC(O)=C1C(=O)C2C3C4=CN=C5C(=O)C=CC(=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
Show metabolites
CC(O)=C1C(=O)C2C3C(=CO)C4=C(C=CC(=O)C4=N)CC3C(C)(C)N2C1=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 0.11
0.11
glutathionation
Probability 0.06
0.06
cyanide
Probability 0.00
0.00