Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Actinidine
Cc1cncc2c1CCC2C
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
Show metabolites
CCc1cncc(C)c1CCO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCC12C=NC=C(C)C1(CCO)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
C=C1C(=O)N=CC2(CC)OC12CCO
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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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.27
0.27
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epoxidation
Probability 0.11
0.11
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dehydration
Probability 0.11
0.11
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dehydration
Probability 0.11
0.11
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15o
hydrogenation
Probability 0.11
0.11
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Showing 5 of 67 metabolites
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