Substrate
/
Generation 1
/
Generation 2
XenoSite
Abyssinone a
CC1(C)C=Cc2cc(C=CC(=O)c3ccc(O)cc3O)cc(O)c2O1
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
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CC1(C)C=Cc2cc(C=CC(=O)C3=CC4OC4(O)C=C3O)cc(O)c2O1
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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 2
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CC1(C)C=Cc2cc(C=CCC3=CC4OC4(O)C=C3O)cc(O)c2O1
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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.
dna
Probability 0.37
0.37
glutathionation
Probability 0.26
0.26
glutathionation
Probability 0.25
0.25
protein
Probability 0.21
0.21
dna
Probability 0.07
0.07
Showing 5 of 8 metabolites
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