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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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CC1(C)CCc2cc(C=CC(=O)c3ccc(O)cc3O)cc(O)c2O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC1(C)CCc2cc(C=CC(=O)C3=C(O)C4OC4(O)C=C3)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 0.63
0.63
protein
Probability 0.41
0.41
dna
Probability 0.34
0.34
glutathionation
Probability 0.24
0.24
glutathionation
Probability 0.22
0.22
Showing 5 of 12 metabolites
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