PCIDB

KNApSAcK Metabolite C00005019

Metabolite

KNApSAcK Entry

id C00005019
Name Aliarin 4'-methyl ether / 5,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS RN 88048-20-8
Standard InChI InChI=1S/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 240

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Sapindaceae 1
Verbenaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dodonaea viscosa 151065 Sapindaceae rosids Viridiplantae
Duranta repens 167917 Verbenaceae asterids Viridiplantae