PCIDB

KNApSAcK Metabolite C00025173

Metabolite

KNApSAcK Entry

id C00025173
Name Heyneanin / Heyneanine / (-)-Heyneanine
CAS RN 4865-78-5
Standard InChI InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13+,16-,19-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL182405 CHEMBL361284

KEGG

By LinkDB

CTD

By CAS RN