Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Baicalein
O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O)c12
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
O=C1C=C2OC(c3ccccc3)=CC([O-])=C2C2(O)OC12O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC(c2cc(=O)c3c(o2)C=C([O-])C2(O)OC32O)=CC1=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 3
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O=C1C=C(c2cc(=O)c3c(o2)C=C([O-])C2(O)OC32O)C=CC1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.17
0.17
dna
Probability 0.12
0.12
glutathionation
Probability 0.09
0.09
protein
Probability 0.07
0.07
protein
Probability 0.07
0.07
Showing 5 of 8 metabolites
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