Substrate
/
Generation 1
XenoSite
Alisiaquinone a
CC12CCCC3(C)c4cc5c(cc4C(=O)C(O)(OC1)C23)C(=O)C=CC5=O
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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CC12CCCC3(C)C4=CC56OC5(C=C4C(=O)C(O)(OC1)C23)C(=O)C=CC6=O
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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 0.26
0.26
dehydration
Probability 0.26
0.26
15o
hydrogenation
Probability 0.26
0.26
oxygen reduction
Probability 0.26
0.26
dehydration
Probability 0.25
0.25
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