PCIDB

KNApSAcK Metabolite C00029597

Metabolite

KNApSAcK Entry

id C00029597
Name 8-(3-Chloro-2-hydroxy-3-methylbutoxy)psoralen / (+)-8-(3-Chloro-2-hydroxy-3-methylbutoxy)psoralen
CAS RN 55481-86-2
Standard InChI InChI=1S/C16H15ClO5/c1-16(2,17)11(18)8-21-15-13-10(5-6-20-13)7-9-3-4-12(19)22-14(9)15/h3-7,11,18H,8H2,1-2H3
Standard InChI (Main Layer) InChI=1S/C16H15ClO5/c1-16(2,17)11(18)8-21-15-13-10(5-6-20-13)7-9-3-4-12(19)22-14(9)15/h3-7,11,18H,8H2,1-2H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 579

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 2

Family

family name count
Apiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Heracleum candicans WALL. 40917 Apiaceae asterids Viridiplantae
Niphogeton ternata 681593 Apiaceae asterids Viridiplantae