PCIDB

KNApSAcK Metabolite C00047252

Metabolite

KNApSAcK Entry

id C00047252
Name Isoscoparin D / (+)-Isoscoparin D
CAS RN 1097647-27-2
Standard InChI InChI=1S/C20H28O6/c1-17(2)5-4-6-18(3)9(17)7-10(21)20-14(18)13(23)12(22)11(15(20)24)19(8-26-19)16(20)25/h9-12,14-15,21-22,24H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15?,18-,19-,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O6/c1-17(2)5-4-6-18(3)9(17)7-10(21)20-14(18)13(23)12(22)11(15(20)24)19(8-26-19)16(20)25/h9-12,14-15,21-22,24H,4-8H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3019

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL562598

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