Substrate
/
Generation 1
/
Generation 2
XenoSite
Arisugacin b
COc1ccc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C=CC(=O)C42C)O3)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1(C)C=CC(=O)C2(C)C1(O)CCC1(C)Oc3cc(C4=CC(=O)C(=O)C=C4)oc(=O)c3CC12O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC12CCC3(O)C(C)(C)C4OC4C(=O)C3(C)C1(O)Cc1c(cc(C3=CC(=O)C(=O)C=C3)oc1=O)O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dehydration
Probability 0.29
0.29
dehydration
Probability 0.29
0.29
15o
hydrogenation
Probability 0.29
0.29
oxygen reduction
Probability 0.29
0.29
dehydration
Probability 0.26
0.26
Showing 5 of 131 metabolites
Show all