Substrate
/
Generation 1
/
Generation 2
XenoSite
Actinidine
Cc1cncc2c1CCC2C
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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C=C1C(=O)N=CC2=C1CCC2C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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C=C1C(=O)N2OC2C2=C1CCC2C
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.17
0.17
dehydration
Probability 0.17
0.17
15o
hydrogenation
Probability 0.17
0.17
oxygen reduction
Probability 0.17
0.17
dealkylation
Probability 0.17
0.17
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