Substrate
/
Generation 1
/
Generation 2
XenoSite
Anisotanol b
C=C(C)C1(O)CC2C3CC(O)C(O)C(C)C32C1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1C(O)C(O)CC2C3CC(O)(C4(C)CO4)CC123
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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
Show metabolites
CC1C(O)C(O)CC2C3CC(O)(C(C)(O)C=O)CC123
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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 0.43
0.43
protein
Probability 0.43
0.43
cyanide
Probability 0.12
0.12
dna
Probability 0.09
0.09