Substrate
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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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Generation 1
Show metabolites
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
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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 2
Show metabolites
CC12CCC3(O)C(C)(C)C(=O)CCC3(C)C1Cc1c(cc(C3=CCC(=O)C=C3)oc1=O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.21
0.21
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dna
Probability 0.19
0.19
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glutathionation
Probability 0.05
0.05
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cyanide
Probability 0.00
0.00
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