PCIDB

KNApSAcK Metabolite C00028013

Metabolite

KNApSAcK Entry

id C00028013
Name Cavidine
CAS RN 32728-75-9
Standard InChI InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 37

Link

ChEMBL

By standard InChI CHEMBL453544
By standard InChI Main Layer CHEMBL453544

KEGG

By LinkDB

CTD

By CAS RN C011188