Substrate
/
Generation 1
/
Generation 2
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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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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
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CC(C)(O)C(=O)Cc1ccc(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
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.31
0.31
glutathionation
Probability 0.15
0.15
protein
Probability 0.11
0.11
glutathionation
Probability 0.02
0.02
protein
Probability 0.00
0.00
Showing 5 of 8 metabolites
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