Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
CHEBI
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Description
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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 1
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Oc1cc(O)c2c(c1)OC(O)(Cc1ccc(O)c(O)c1)C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Oc1cc(O)c2c(c1)OC(O)(CC1=CC3(O)OC3(O)C=C1)C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1C=C(O)C2=C(OC(O)(CC3=CC4(O)OC4(O)C=C3)C2O)C1=O
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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 0.10
0.10
glutathionation
Probability 0.09
0.09
protein
Probability 0.08
0.08
protein
Probability 0.07
0.07
dna
Probability 0.06
0.06
Showing 5 of 8 metabolites
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