Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Atropine
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Norhyoscyamine
O=C(OC1CC2CCC(C1)N2)C(CO)c1ccccc1
CHEBI
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
O=C(OC1CC2=NC(CC2)C1)C(CO)c1ccccc1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=CC=C(C(CO)C(=O)OC2CC3=NC(CC3)C2)C1=O
Copy JSON
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.
dna
Probability 0.27
0.27
protein
Probability 0.16
0.16
glutathionation
Probability 0.06
0.06
glutathionation
Probability 0.06
0.06
dna
Probability 0.03
0.03
Showing 5 of 8 metabolites
Show all