PCIDB

KNApSAcK Metabolite C00048283

Metabolite

KNApSAcK Entry

id C00048283
Name 3alpha-Hydroxymarrubiin / (+)-3alpha-Hydroxymarrubiin
CAS RN 1158806-50-8
Standard InChI InChI=1S/C20H28O5/c1-12-10-14-16-18(2,7-5-15(21)19(16,3)17(22)25-14)20(12,23)8-4-13-6-9-24-11-13/h6,9,11-12,14-16,21,23H,4-5,7-8,10H2,1-3H3/t12-,14-,15-,16-,18+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O5/c1-12-10-14-16-18(2,7-5-15(21)19(16,3)17(22)25-14)20(12,23)8-4-13-6-9-24-11-13/h6,9,11-12,14-16,21,23H,4-5,7-8,10H2,1-3H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 874

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
Marrubium thessalum 694371 Lamiaceae asterids Viridiplantae