PCIDB

KNApSAcK Metabolite C00040864

Metabolite

KNApSAcK Entry

id C00040864
Name Ajugachin A
CAS RN 131086-64-1
Standard InChI InChI=1S/C28H40O10/c1-14(2)24(32)38-23-19(31)11-20-26(6,21-10-18-7-8-33-25(18)37-21)15(3)9-22(36-17(5)30)27(20,12-34-16(4)29)28(23)13-35-28/h7-8,14-15,18-23,25,31H,9-13H2,1-6H3/t15-,18+,19-,20-,21-,22+,23+,25-,26+,27+,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H40O10/c1-14(2)24(32)38-23-19(31)11-20-26(6,21-10-18-7-8-33-25(18)37-21)15(3)9-22(36-17(5)30)27(20,12-34-16(4)29)28(23)13-35-28/h7-8,14-15,18-23,25,31H,9-13H2,1-6H3

Cluster

Phytochemical cluster No. 43
KCF-S cluster No. 172

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 reptans 38596 Lamiaceae asterids Viridiplantae