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
Generation 2
Show metabolites
CC1(C)C=CC2=C(O1)C(=O)C(=O)C(C1OC1C(=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.
glutathionation
Probability 0.38
0.38
dna
Probability 0.17
0.17
dna
Probability 0.15
0.15
protein
Probability 0.14
0.14
glutathionation
Probability 0.11
0.11
Showing 5 of 16 metabolites
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