PCIDB

KNApSAcK Metabolite C00040789

Metabolite

KNApSAcK Entry

id C00040789
Name 2,3-Dihydroxypropyl linoleate
CAS RN 2277-28-3
Standard InChI InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
Standard InChI (Main Layer) InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1785

Link

ChEMBL

By standard InChI CHEMBL458250
By standard InChI Main Layer CHEMBL188361 CHEMBL188186 CHEMBL255662 CHEMBL458250 CHEMBL2075040

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bauhinia purpurea L. 3806 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL255662 CHEMBL932557 (1)
0 / 3
P08183 Multidrug resistance protein 1 drug CHEMBL2075040 CHEMBL2076221 (1)
1 / 0
P14555 Phospholipase A2, membrane associated Enzyme CHEMBL255662 CHEMBL932558 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#612244 Inflammatory bowel disease 13; ibd13 P08183

KEGG DISEASE (3)

KEGG disease name UniProt
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)