PCIDB

KNApSAcK Metabolite C00025611

Metabolite

KNApSAcK Entry

id C00025611
Name Grisabine / (-)-Grisabine / 1-Epicuspidaline
CAS RN 62057-36-7
Standard InChI InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1186148

KEGG

By LinkDB

CTD

By CAS RN