PCIDB

KNApSAcK Metabolite C00024279

Metabolite

KNApSAcK Entry

id C00024279
Name Raucaffrine / (+)-Perakine
CAS RN 4382-56-3
Standard InChI InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 523

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL521036

KEGG

By LinkDB C19932

CTD

By CAS RN