Metabolite

KNApSAcK Entry

id C00025914
Name Isotrilobin / Homotrilobin / Homotrilobine / (+)-Isotrilobine / N,O-Dimethylcocsoline
CAS RN 26195-62-0
Standard InChI InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL503241
By standard InChI Main Layer CHEMBL503241 CHEMBL448550

KEGG

By LinkDB

CTD

By CAS RN