PCIDB

KNApSAcK Metabolite C00027447

Metabolite

KNApSAcK Entry

id C00027447
Name Ocotein / Ocoteine / Thalicmin / Thalicmine
CAS RN 3246-21-7
Standard InChI InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3/t14-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 20

Link

ChEMBL

By standard InChI CHEMBL443099
By standard InChI Main Layer CHEMBL443099

KEGG

By LinkDB

CTD

By CAS RN