Substrate
/
Generation 1
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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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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CC(C)(O)CCc1ccc(O)c2c(=O)c3c(oc12)C=C1OC2OC=CC2(O)C12OC32O
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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 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.10
0.10
epoxide opening
Probability 0.07
0.07
epoxide opening
Probability 0.07
0.07
hydroxylation
Probability 0.04
0.04
hydroxylation
Probability 0.04
0.04
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