Substrate
/
Generation 1
XenoSite
Ananolignan b
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC(C)=O)C(C)C(C)C2=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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COC1=C2OCOC23OC3C2=C1c1c(cc(OC)c(OC)c1OC)C(=O)C(C)C(C)C2OC(C)=O
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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
Select a metabolite to form the next generation.
hydrolysis
Probability 0.51
0.51
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(11c)acetic acid
hydrolysis
Probability 0.51
0.51
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.51
0.51
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dealkylation
Probability 0.28
0.28
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Formaldehyde
dealkylation
Probability 0.28
0.28
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Methanol
Showing 5 of 135 metabolites
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