Substrate
/
Generation 1
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Generation 2
XenoSite
Auroxanthin
CC(C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
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
Show metabolites
CC(C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC=CCC(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=CC=CC(C)CC=CC1OC1(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)C1C=C2C(C)(C)CC(O)CC2(C)O1
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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.
glutathionation
Probability 0.15
0.15
dna
Probability 0.11
0.11
protein
Probability 0.06
0.06
dna
Probability 0.04
0.04
glutathionation
Probability 0.02
0.02
Showing 5 of 8 metabolites
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