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)C56C=CC=CC5O6)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 0.98
0.98
(11c)acetic acid
dealkylation
Probability 0.98
0.98
An oxidized polyvinyl alcohol
dealkylation
Probability 0.98
0.98
A polyvinyl alcohol
dealkylation
Probability 0.98
0.98
dealkylation
Probability 0.47
0.47
Showing 5 of 9 metabolites
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