Substrate
/
Generation 1
XenoSite
Aconitine
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
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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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CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC(=O)C=CC5=O)C(C(OC)C23)C14
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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.
dealkylation
Probability 0.97
0.97
(11c)acetic acid
dealkylation
Probability 0.97
0.97
An oxidized polyvinyl alcohol
dealkylation
Probability 0.97
0.97
A polyvinyl alcohol
dealkylation
Probability 0.97
0.97
dealkylation
Probability 0.38
0.38
Showing 5 of 9 metabolites
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