Substrate
/
Generation 1
XenoSite
Aurachin b
CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)[n+]([O-])c2ccccc12
CHEBI
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Description
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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(C)=CCCC(C)=CCCC(=CCc1c(O)c(C)[n+]([O-])c2ccccc12)CO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
epoxidation
Probability 0.62
0.62
epoxidation
Probability 0.12
0.12
epoxidation
Probability 0.12
0.12
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.03
0.03
Showing 5 of 12 metabolites
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