PCIDB

KNApSAcK Metabolite C00025917

Metabolite

KNApSAcK Entry

id C00025917
Name Isovoacristine
CAS RN 5525-37-1
Standard InChI InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,17+,20-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 250

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL184378 CHEMBL360973

KEGG

By LinkDB

CTD

By CAS RN