PCIDB

KNApSAcK Metabolite C00008870

Metabolite

KNApSAcK Entry

id C00008870
Name Epicatechin 3-O-(4-O-methylgallate)
CAS RN 108907-44-4
Standard InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 219

Link

ChEMBL

By standard InChI CHEMBL159433
By standard InChI Main Layer CHEMBL159433 CHEMBL556692

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Theaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Camellia sinensis var. assamica 261999 Theaceae asterids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P50281 Matrix metalloproteinase-14 M10A CHEMBL159433 CHEMBL556692 CHEMBL1064084 (2)
0 / 0
P09237 Matrilysin M10A CHEMBL159433 CHEMBL556692 CHEMBL1064085 (2)
0 / 0
P08253 72 kDa type IV collagenase M10A CHEMBL159433 CHEMBL556692 CHEMBL1064086 (2)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253

KEGG DISEASE (3)

KEGG disease name UniProt
H00025 Penile cancer P08253 (related)
H00028 Choriocarcinoma P08253 (related)
H00472 Torg-Winchester syndrome P08253 (related)