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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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Cc1cncc2c1CCC2(C)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC1(O)CCC2=C1C=NC1OC21C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.67
0.67
protein
Probability 0.37
0.37
dna
Probability 0.32
0.32
dna
Probability 0.14
0.14
glutathionation
Probability 0.04
0.04
Showing 5 of 8 metabolites
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