Substrate
/
Generation 1
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
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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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O=C1c2c(O)cc(O)cc2OC1(O)CC1=CC=C(O)C2(O)OC12
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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 0.36
0.36
15o
dehydration
Probability 0.36
0.36
hydrogenation
Probability 0.36
0.36
oxygen reduction
Probability 0.36
0.36
epoxide opening
Probability 0.10
0.10
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