PCIDB

KNApSAcK Metabolite C00037344

Metabolite

KNApSAcK Entry

id C00037344
Name Isorosmanol
CAS RN 93780-80-4
Standard InChI InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3

Cluster

Phytochemical cluster No. 40
KCF-S cluster No. 734

Link

ChEMBL

By standard InChI CHEMBL494659
By standard InChI Main Layer CHEMBL494659 CHEMBL2333536

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (3)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hypis dilatata
Salvia officinalis 38868 Lamiaceae asterids Viridiplantae
Salvia pachyphylla 207759 Lamiaceae asterids Viridiplantae