Substrate
/
Generation 1
/
Generation 2
XenoSite
Adriamycinol
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N)C(O)C(C)O1
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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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(=O)C(O)C(C)O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COC1=C2C(=O)c3c(O)c4c(c(O)c3C(=O)C2=CC2OC12)CC(O)(C(O)CO)CC4OC1CC(=O)C(O)C(C)O1
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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 0.14
0.14
glutathionation
Probability 0.13
0.13
glutathionation
Probability 0.12
0.12
glutathionation
Probability 0.12
0.12
protein
Probability 0.05
0.05
Showing 5 of 12 metabolites
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