PCIDB

KNApSAcK Metabolite C00025453

Metabolite

KNApSAcK Entry

id C00025453
Name Isorhoeadine / 1-Isorheadine
CAS RN 4046-21-3
Standard InChI InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19+,21+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 305

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN