Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Actinidine
Cc1cncc2c1CCC2C
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
Cc1cncc2c1CCC2(C)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=C=O)C1=C(C=N)C(C)(O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC1(O)CCC(C2(C)OC2=O)=C1C=N
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.37
0.37
glutathionation
Probability 0.26
0.26
dna
Probability 0.10
0.10
cyanide
Probability 0.03
0.03