PCIDB

KNApSAcK Metabolite C00019892

Metabolite

KNApSAcK Entry

id C00019892
Name (E)-8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
CAS RN 151121-39-0
Standard InChI InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3/b14-8+/t17-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1664

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 2

Family

family name count
Rutaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phebalium clavatum 282629 Rutaceae rosids Viridiplantae
Phebalium tuberculosum ssp. megaphyllum 77003 Rutaceae rosids Viridiplantae