PCIDB

KNApSAcK Metabolite C00028769

Metabolite

KNApSAcK Entry

id C00028769
Name O-Methylrepandine
CAS RN 4021-17-4
Standard InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL464525

KEGG

By LinkDB

CTD

By CAS RN