Substrate
/
Generation 1
XenoSite
Baruol
CC(C)=CCCC1(C)CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC2(C)C1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
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CC(C)=CCCC1(C)CCC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
stable oxygenation
Loading…
unstable oxygenation
Loading…
dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.44
0.44
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epoxidation
Probability 0.15
0.15
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hydrogenation
Probability 0.09
0.09
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hydroxylation
Probability 0.08
0.08
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hydroxylation
Probability 0.06
0.06
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Showing 5 of 164 metabolites
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