PCIDB

KNApSAcK Metabolite C00018899

Metabolite

KNApSAcK Entry

id C00018899
Name Orientanol B / 3-O-Methylcalopocarpin
CAS RN 202525-95-9
Standard InChI InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 188

Link

ChEMBL

By standard InChI CHEMBL465985
By standard InChI Main Layer CHEMBL465985

KEGG

By LinkDB

CTD

By CAS RN