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
About this model
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Generation 1
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COC1=CC2=C(c3c(cc4c(c3OC)OCO4)C(OC(C)=O)C(C)C(C)C2=O)C2(OC)OC12OC
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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 0.48
0.48
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(11c)acetic acid
hydrolysis
Probability 0.48
0.48
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.48
0.48
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hydrogenation
Probability 0.36
0.36
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dealkylation
Probability 0.23
0.23
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Formaldehyde
Showing 5 of 135 metabolites
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