PCIDB

KNApSAcK Metabolite C00025641

Metabolite

KNApSAcK Entry

id C00025641
Name (+)-2'-Norcocsuline / 12'-O-Nortrilobine / (+)-O12'-Demethyltrilobine
CAS RN 39986-72-6
Standard InChI InChI=1S/C34H32N2O5/c1-36-12-10-21-16-29-30-18-24(21)26(36)14-20-5-8-27(37)28(15-20)39-23-6-3-19(4-7-23)13-25-32-22(9-11-35-25)17-31(38-2)33(40-29)34(32)41-30/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3/t25-,26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H32N2O5/c1-36-12-10-21-16-29-30-18-24(21)26(36)14-20-5-8-27(37)28(15-20)39-23-6-3-19(4-7-23)13-25-32-22(9-11-35-25)17-31(38-2)33(40-29)34(32)41-30/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL443331
By standard InChI Main Layer CHEMBL443331

KEGG

By LinkDB

CTD

By CAS RN