PCIDB

KNApSAcK Metabolite C00042716

Metabolite

KNApSAcK Entry

id C00042716
Name Macrocalyxin C / (-)-Amethystonal
CAS RN 91379-75-8
Standard InChI InChI=1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15?,17?,18+,19+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 132

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL463149

KEGG

By LinkDB

CTD

By CAS RN C077959

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
Isodon albopilosus 204130 Lamiaceae asterids Viridiplantae