PCIDB

KNApSAcK Metabolite C00027522

Metabolite

KNApSAcK Entry

id C00027522
Name Berbamunine / (+)-Berbamunine
CAS RN 485-18-7
Standard InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 89

Link

ChEMBL

By standard InChI CHEMBL1187468
By standard InChI Main Layer CHEMBL1187468

KEGG

By LinkDB C05177

CTD

By CAS RN