Substrate
/
Generation 1
/
Generation 2
XenoSite
Arisugacin c
COc1ccc(-c2cc3c(c(=O)o2)CC2C(C)(CCC4(O)C(C)(C)C(=O)CCC24C)O3)cc1
CHEBI
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Description
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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 1
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CC12CCC3(O)C(C)(C)C(=O)CCC3(C)C1Cc1c(cc(-c3ccc(O)cc3)oc1=O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC12CCC3(O)C(C)(C)C(=O)CCC3(C)C1CC13OC1(C=C(c1ccc(O)cc1)OC3=O)O2
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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 0.21
0.21
glutathionation
Probability 0.16
0.16
protein
Probability 0.14
0.14
glutathionation
Probability 0.02
0.02
protein
Probability 0.01
0.01
Showing 5 of 8 metabolites
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