Substrate
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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
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Generation 1
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O=c1cc(C2=CC3OC3C=C2)oc2cc([O-])c(O)c(O)c12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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[O-]c1cc2c(c(O)c1O)C(O)C=C(C1=CC3OC3C=C1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1[CH-]C(=O)C(C(O)C=CC2=CC3OC3C=C2)=C(O)C1=O
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quinone formation · 0.01
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation