PCIDB

KNApSAcK Metabolite C00009069

Metabolite

KNApSAcK Entry

id C00009069
Name ent-Epicatechin-(4alpha->8)-epiafzelechin
CAS RN 130982-00-2
Standard InChI InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 16

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL447023

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
Cassia fistula 53852 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL447023 CHEMBL1020816 (1)
0 / 3
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL447023 CHEMBL1020815 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (3)

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