Substrate
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Generation 1
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Generation 2
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Generation 3
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
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
CC(=O)C1(N)Cc2c(c(O)c3c(=O)c4c(=O)ccc(=O)c=4c(=O)c3c2O)C(O)C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
CC(=O)C1(N)CC(O)C23OC2(C1)C(O)=c1c(=O)c2c(=O)ccc(=O)c=2c(=O)c1=C3O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Select a metabolite to form the next generation.
glucuronidation
Probability 0.39
0.39
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glucuronidation
Probability 0.39
0.39
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glucuronidation
Probability 0.09
0.09
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