Substrate
/
Generation 1
XenoSite
Ananolignan k
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC(=O)c1ccccc1)C(C)C(C)C2OC(C)=O
CHEBI
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Description
▾
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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Benzaldehyde
O=Cc1ccccc1
CHEBI
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Description
▾
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.
dehydration
Probability 0.84
0.84
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Toluene
dehydration
Probability 0.84
0.84
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15o
hydrogenation
Probability 0.84
0.84
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Benzyl alcohol
oxygen reduction
Probability 0.84
0.84
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Benzyl alcohol
hydroxylation
Probability 0.21
0.21
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P-hydroxybenzaldehyde
Showing 5 of 36 metabolites
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