PCIDB

KNApSAcK Metabolite C00047253

Metabolite

KNApSAcK Entry

id C00047253
Name Isoscoparin E / (-)-Isoscoparin E
CAS RN 1097647-28-3
Standard InChI InChI=1S/C22H32O6/c1-10-14-15(24)16(25)17-21(5)8-6-7-20(3,4)12(21)9-13(28-11(2)23)22(17,18(10)26)19(14)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14?,15-,16+,17+,19?,21-,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H32O6/c1-10-14-15(24)16(25)17-21(5)8-6-7-20(3,4)12(21)9-13(28-11(2)23)22(17,18(10)26)19(14)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 289

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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