Substrate
/
Generation 1
/
Generation 2
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
About this model
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Generation 1
Show metabolites
COc1cc2c(cc1O)CC(N)c1c(CCO)cc3c(c1-2)OCO3
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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
Show metabolites
COc1cc2c(cc1O)CC(N)c1c(CCO)cc(O)c(OC(=O)O)c1-2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.01
0.01
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epoxidation
Probability 0.01
0.01
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epoxidation
Probability 0.00
0.00
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epoxidation
Probability 0.00
0.00
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epoxidation
Probability 0.00
0.00
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Showing 5 of 12 metabolites
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