Substrate
/
Generation 1
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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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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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
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Generation 2
Show metabolites
CC12CCC3(O)C(C)(C)C(=O)CCC3(C)C1CC1=C(O2)C2OC2(c2ccc(O)cc2)OC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.22
0.22
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dealkylation
Probability 0.04
0.04
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Tennesine hydride
dealkylation
Probability 0.04
0.04
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Formaldehyde
dealkylation
Probability 0.04
0.04
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dealkylation
Probability 0.04
0.04
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Showing 5 of 111 metabolites
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