Substrate
/
Generation 1
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)CC(OC2CC(O)C(O)CO2)C23OC2(C1)C(O)=C1C(=O)c2ccccc2C(=O)C1=C3O
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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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.16
0.16
dehydration
Probability 0.16
0.16
15o
hydrogenation
Probability 0.16
0.16
oxygen reduction
Probability 0.16
0.16
dehydration
Probability 0.13
0.13
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