Substrate
/
Generation 1
XenoSite
Andrastin e
COC(=O)C12C([O-])=C(C)C(=O)C1(C)C(C)=CC1C3(C)CCC(O)C(C)(C)C3CCC12C
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
CC1=CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C=O)C([O-])=C(C)C(=O)C12C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
protein
Probability 0.45
0.45
glutathionation
Probability 0.40
0.40
dna
Probability 0.19
0.19
cyanide
Probability 0.03
0.03