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
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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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CC(=O)C1(N)Cc2c(c(=O)c3c(=O)c4ccccc4c(=O)c=3c2=O)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)Cc2c(c(=O)c3c(=O)c4c(c(=O)c=3c2=O)C=CC2OC42)C(OC2CC(O)C(O)CO2)C1
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.14
0.14
dehydration
Probability 0.14
0.14
15o
hydrogenation
Probability 0.14
0.14
oxygen reduction
Probability 0.14
0.14
dealkylation
Probability 0.07
0.07
Showing 5 of 143 metabolites
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