Substrate
/
Generation 1
/
Generation 2
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
Show metabolites
CCC1(CCCO)CCC2N(C(C)=O)c3c(OC)cccc3C23CCNC13
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCC1(CCCO)CCC2N(C(C)=O)C3=C(C=CC4OC34OC)C23CCNC13
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.50
0.50
glutathionation
Probability 0.32
0.32
protein
Probability 0.22
0.22
glutathionation
Probability 0.20
0.20
dna
Probability 0.07
0.07
Showing 5 of 8 metabolites
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