Substrate
/
Generation 1
/
Generation 2
XenoSite
Azadirachtin b
CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C=O)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Show metabolites
*C(O)C1(O)OCC23C(OC(=O)C(C)=CC)CC(OC(C)=O)C4(C(=O)OC)COC(C42)C(O)C(C)(C24OC2(C)C2CC4OC4OC=CC42O)C13 |$CN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Copy JSON
cyanide · 0.02