PCIDB

KNApSAcK Metabolite C00049421

Metabolite

KNApSAcK Entry

id C00049421
Name Ajugin B / (+)-Ajugin B
CAS RN 245352-31-2
Standard InChI InChI=1S/C28H40O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h8,19-21,23,29,32-33H,5-7,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H40O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h8,19-21,23,29,32-33H,5-7,9-15H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1014

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
Ajuga parviflora 38595 Lamiaceae asterids Viridiplantae