Substrate
/
Generation 1
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Generation 2
XenoSite
Ascofuranone
CC(=CCc1c([O-])c(Cl)c(C)c(C=O)c1O)CCC=C(C)C1CC(=O)C(C)(C)O1
CHEBI
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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(=CCCC1(C)OC1CC1=C(O)C(=C[O-])C(C)=C(Cl)C1=O)C1CC(=O)C(C)(C)O1
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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
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CC(=CCCC1(C)OC1CC1=C(O)C(=C[O-])C(C)=C(Cl)C1=O)C1CC(O)C(C)(C)O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.21
0.21
epoxidation
Probability 0.14
0.14
epoxidation
Probability 0.14
0.14
epoxidation
Probability 0.14
0.14
epoxidation
Probability 0.14
0.14
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