PCIDB

KNApSAcK Metabolite C00038394

Metabolite

KNApSAcK Entry

id C00038394
Name Ajugaside A / (+)-Ajugaside A
CAS RN 213134-86-2
Standard InChI InChI=1S/C32H50O14/c1-14(10-33)16-9-15-5-6-19-31(2,13-43-29-26(41)24(39)21(36)17(11-34)44-29)7-4-8-32(19,3)20(15)23(38)28(16)46-30-27(42)25(40)22(37)18(12-35)45-30/h9,14,17-19,21-22,24-27,29-30,33-42H,4-8,10-13H2,1-3H3/t14-,17-,18-,19+,21-,22-,24+,25+,26-,27-,29-,30+,31-,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H50O14/c1-14(10-33)16-9-15-5-6-19-31(2,13-43-29-26(41)24(39)21(36)17(11-34)44-29)7-4-8-32(19,3)20(15)23(38)28(16)46-30-27(42)25(40)22(37)18(12-35)45-30/h9,14,17-19,21-22,24-27,29-30,33-42H,4-8,10-13H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 7590

Link

ChEMBL

By standard InChI CHEMBL442624
By standard InChI Main Layer CHEMBL442624 CHEMBL501422

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
Ajuga decumbens 167911 Lamiaceae asterids Viridiplantae
Clerodendrum bungei Steud 13432 Lamiaceae asterids Viridiplantae