Substrate
/
Generation 1
/
Generation 2
XenoSite
Acronidine
COc1cc2nc3occc3c(OC)c2c2c1OC(C)(C)C=C2
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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COc1c2ccoc2nc2cc(O)c3c(c12)C=CC(C)(C)O3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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COc1c2c(nc3occc13)C=C(O)C13OC(C)(C)C=CC21O3
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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 0.15
0.15
dna
Probability 0.10
0.10
protein
Probability 0.10
0.10
dna
Probability 0.02
0.02
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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