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=CC2=C(O1)C(=O)C(=O)C(C=CC(=O)c1ccc(O)cc1O)=C2
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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=CC2=C(O1)C(O)C(=O)C(C=CC(=O)c1ccc(O)cc1O)=C2
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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 0.24
0.24
protein
Probability 0.19
0.19
protein
Probability 0.11
0.11
dna
Probability 0.07
0.07
glutathionation
Probability 0.04
0.04
Showing 5 of 12 metabolites
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