PCIDB

KNApSAcK Metabolite C00047257

Metabolite

KNApSAcK Entry

id C00047257
Name Isoscoparin I / (-)-Isoscoparin I
CAS RN 1097647-32-9
Standard InChI InChI=1S/C20H28O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11?,12-,13+,14+,15-,17?,18+,19+,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H28O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 132

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL563174

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Isodon scoparius 662927 Lamiaceae asterids Viridiplantae