Substrate
/
Generation 1
/
Generation 2
XenoSite
Aporphine
CN1CCc2cccc3c2C1Cc1ccccc1-3
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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CN1CCC2=C3C(=CC4OC24)c2ccccc2CC31
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CN1CCC2=C3C(=CC4OC24)C2=CC(=O)C=CC2=CC31
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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.
dna
Probability 0.35
0.35
glutathionation
Probability 0.33
0.33
glutathionation
Probability 0.25
0.25
dna
Probability 0.21
0.21
dna
Probability 0.17
0.17
Showing 5 of 12 metabolites
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