Substrate
/
Generation 1
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Generation 2
/
Generation 3
XenoSite
Aspidospermine
CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32
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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CCC12CCCNC1C1(CC=O)c3cccc(OC)c3N(C(C)=O)C1CC2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCC12CCCNC1C(CC=O)(C1=CC=CC(=O)C1=NC(C)=O)CCC2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CCC12CCCNC1C(CC=O)(C13OC1C=CC(=O)C3=NC(C)=O)CCC2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.36
0.36
dna
Probability 0.22
0.22
protein
Probability 0.12
0.12
protein
Probability 0.10
0.10
glutathionation
Probability 0.09
0.09
Showing 5 of 16 metabolites
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