Substrate
/
Generation 1
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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
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Generation 1
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COc1cc2c(cc1O)CC(O)c1c(CCN)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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Generation 2
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COC1=CC2=C(CC(O)c3c(CCN)cc4c(c32)OCO4)C2OC12O
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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.
dealkylation
Probability 0.40
0.40
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dealkylation
Probability 0.40
0.40
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dealkylation
Probability 0.40
0.40
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dealkylation
Probability 0.40
0.40
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((sup 13)n)ammonia
dealkylation
Probability 0.33
0.33
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Formaldehyde
Showing 5 of 121 metabolites
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