Substrate
/
Generation 1
XenoSite
Actinodaphnine
COc1cc2c(cc1O)CC1NCCc3cc4c(c-2c31)OCO4
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Show metabolites
O=C1C=C2CC3NCCc4cc5c(c(c43)C2=CC1=O)OCO5
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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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.59
0.59
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15o
dehydration
Probability 0.59
0.59
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hydrogenation
Probability 0.59
0.59
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oxygen reduction
Probability 0.59
0.59
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dehydration
Probability 0.35
0.35
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15o
Showing 5 of 112 metabolites
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