Substrate
/
Generation 1
XenoSite
Albafuran a
CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1
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
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CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1-c1cc2c(o1)=CC(=O)C(=O)C=2
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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
Select a metabolite to form the next generation.
dehydration
Probability 0.29
0.29
dehydration
Probability 0.29
0.29
15o
hydrogenation
Probability 0.29
0.29
oxygen reduction
Probability 0.29
0.29
hydroxylation
Probability 0.24
0.24
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