PCIDB

KNApSAcK Metabolite C00022394

Metabolite

KNApSAcK Entry

id C00022394
Name Ballotenol
CAS RN 63543-36-2
Standard InChI InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1134

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
Ballota nigra 194200 Lamiaceae asterids Viridiplantae
Leonurus persicus 4137 Lamiaceae asterids Viridiplantae