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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
CCc1cncc(C)c1CC=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCC1=CN2OC2C(C)=C1CC=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.43
0.43
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glutathionation
Probability 0.35
0.35
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dna
Probability 0.18
0.18
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cyanide
Probability 0.04
0.04
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