Substrate
/
Generation 1
/
Generation 2
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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Generation 1
Show metabolites
CC1=CN=CC23OC12CCC3C
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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
CC(=CO)C12CCC(C)C1(C=N)O2
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.44
0.44
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hydroxylation
Probability 0.15
0.15
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hydroxylation
Probability 0.15
0.15
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epoxide opening
Probability 0.12
0.12
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epoxide opening
Probability 0.12
0.12
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Showing 5 of 50 metabolites
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