Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Aclacinomycin s
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)OC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 1
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CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
Show metabolites
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C([O-])C3=C(C(=O)C2=C1C(=O)O)C(=O)c1cccc(O)c1C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C(=O)C34OC3(C2=O)C(=O)c2c(O)cccc2C4=O)[C-]1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
Show metabolites
Methanol
CO
CHEBI
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Description
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dealkylation · 0.10
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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