PCIDB

KNApSAcK Metabolite C00042458

Metabolite

KNApSAcK Entry

id C00042458
Name Dehydroxycubebin / (-)-Dehydroxycubebin
CAS RN 81410-45-9
Standard InChI InChI=1S/C20H20O5/c1-3-17-19(24-11-22-17)7-13(1)5-15-9-21-10-16(15)6-14-2-4-18-20(8-14)25-12-23-18/h1-4,7-8,15-16H,5-6,9-12H2/t15-,16-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H20O5/c1-3-17-19(24-11-22-17)7-13(1)5-15-9-21-10-16(15)6-14-2-4-18-20(8-14)25-12-23-18/h1-4,7-8,15-16H,5-6,9-12H2

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 629

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL487394

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Rutaceae 1
Acanthaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Boronella koniambiensis 1226048 Rutaceae rosids Viridiplantae
Hypoestes purpurea 13570 Acanthaceae asterids Viridiplantae