Substrate
/
Generation 1
/
Generation 2
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
Generation 1
Show metabolites
COC1=CC2=C(C(=O)C1=O)c1c(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
Generation 2
Show metabolites
COC1=CC2=C(C(=O)C1=O)C1=C(OC)C3(OC)OC3(OC)C=C1C(=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
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.27
0.27
glutathionation
Probability 0.18
0.18
dna
Probability 0.09
0.09
dna
Probability 0.09
0.09
protein
Probability 0.07
0.07
Showing 5 of 16 metabolites
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