PCIDB

KNApSAcK Metabolite C00022393

Metabolite

KNApSAcK Entry

id C00022393
Name Dubiin
CAS RN 51419-49-9
Standard InChI InChI=1S/C22H30O6/c1-14-11-17(28-15(2)23)18-20(3)7-4-8-21(18,13-27-19(20)24)22(14,25)9-5-16-6-10-26-12-16/h6,10,12,14,17-18,25H,4-5,7-9,11,13H2,1-3H3/t14-,17-,18?,20+,21?,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H30O6/c1-14-11-17(28-15(2)23)18-20(3)7-4-8-21(18,13-27-19(20)24)22(14,25)9-5-16-6-10-26-12-16/h6,10,12,14,17-18,25H,4-5,7-9,11,13H2,1-3H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 874

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 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Leonotis dubia 378903 Lamiaceae asterids Viridiplantae
Leonurus sibiricus L. 405945 Lamiaceae asterids Viridiplantae