Substrate
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Generation 1
/
Generation 2
XenoSite
Abyssinone a
CC1(C)C=Cc2cc(C=CC(=O)c3ccc(O)cc3O)cc(O)c2O1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CC1(C)Oc2c(O)cc(C=CC(=O)c3ccc(O)cc3O)cc2C2OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC1(C)OC2=C(C=C(C=CC(=O)c3ccc(O)cc3O)C(=O)C2=O)C2OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dehydration
Probability 0.24
0.24
dehydration
Probability 0.24
0.24
15o
hydrogenation
Probability 0.24
0.24
oxygen reduction
Probability 0.24
0.24
dehydration
Probability 0.21
0.21
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