Substrate
/
Generation 1
/
Generation 2
XenoSite
Altenusin
COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2C)c1
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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C=c1cc(O)c(O)cc1=C1C(=O)C(OC)=CC(O)=C1C(=O)O
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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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C=c1cc(O)c(O)cc1=C1CC(OC)=CC(O)=C1C(=O)O
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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 0.18
0.18
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
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