Substrate
/
Generation 1
/
Generation 2
XenoSite
Asnipyrone b
COc1cc(C=CC(C)=CC(C)=Cc2ccccc2)oc(=O)c1
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
COc1cc(C=CC(C)=CC2(C)OC2c2ccccc2)oc(=O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COc1cc(C=CC(C)=CC2(C)OC2=C2C=CC=CC2=O)oc(=O)c1
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.25
0.25
dehydration
Probability 0.25
0.25
15o
hydrogenation
Probability 0.25
0.25
oxygen reduction
Probability 0.25
0.25