Substrate
/
Generation 1
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
Generation 1
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CC12CCC3(O)C(C)(C)C(=O)CCC3(C)C1Cc1c(cc(C3=CC(=O)C(=O)C=C3)oc1=O)O2
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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.
dehydration
Probability 0.29
0.29
dehydration
Probability 0.29
0.29
15o
hydrogenation
Probability 0.29
0.29
oxygen reduction
Probability 0.29
0.29
dehydration
Probability 0.26
0.26
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