Substrate
/
Generation 1
/
Generation 2
XenoSite
Amrubicin
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)C1(N)Cc2c(c(O)c3c(=O)c4c(=O)ccc(=O)c=4c(=O)c3c2O)C(OC2CC(O)C(O)CO2)C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=O)C1(N)CC(OC2CC(O)C(O)CO2)C2=C(O)c3c(c(=O)c4c(=O)ccc(=O)c=4c3=O)C3(O)OC23C1
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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 0.23
0.23
glutathionation
Probability 0.18
0.18
protein
Probability 0.08
0.08
cyanide
Probability 0.00
0.00