Substrate
/
Generation 1
/
Generation 2
XenoSite
Arisugacin b
COc1ccc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C=CC(=O)C42C)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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CC1(C)C=CC(=O)C2(C)C1(O)CCC1(C)Oc3cc(C4=CC(=O)C(=O)C=C4)oc(=O)c3CC12O
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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)C=CC(=O)C2(C)C1(O)CCC1(C)Oc3cc(C4=CC(=O)C(=O)C5OC45)oc(=O)c3CC12O
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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 0.22
0.22
dehydration
Probability 0.22
0.22
15o
hydrogenation
Probability 0.22
0.22
oxygen reduction
Probability 0.22
0.22
dehydration
Probability 0.22
0.22
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