PCIDB

KNApSAcK Metabolite C00043104

Metabolite

KNApSAcK Entry

id C00043104
Name Vescalagin
CAS RN 36001-47-5
Standard InChI InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2
Standard InChI (Main Layer) InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 226

Link

ChEMBL

By standard InChI CHEMBL607711
By standard InChI Main Layer CHEMBL288949 CHEMBL288273 CHEMBL504485 CHEMBL607711

KEGG

By LinkDB

CTD

By CAS RN C084709

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fagaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Castanea sativa Mill. 21020 Fagaceae rosids Viridiplantae

Human Protein / Gene in interaction

11 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q05513 Protein kinase C zeta type Iota CHEMBL288949 CHEMBL288273 CHEMBL769344 (2)
0 / 0
Q04759 Protein kinase C theta type Delta CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 1
Q02156 Protein kinase C epsilon type Eta CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0
O94806 Serine/threonine-protein kinase D3 Pkd CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0
P17252 Protein kinase C alpha type Alpha CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0
Q05655 Protein kinase C delta type Delta CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0
P05129 Protein kinase C gamma type Alpha CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
1 / 1
P05771 Protein kinase C beta type Alpha CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0
P24723 Protein kinase C eta type Eta CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
1 / 0
P41743 Protein kinase C iota type Iota CHEMBL288949 CHEMBL288273 CHEMBL769344 (2)
0 / 0
Q15139 Serine/threonine-protein kinase D1 Pkd CHEMBL288949 CHEMBL288273 CHEMBL769344 (2) CHEMBL768504 (2)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#605361 Spinocerebellar ataxia 14; sca14 P05129
#601367 Stroke, ischemic P24723

KEGG DISEASE (2)

KEGG disease name UniProt
H00063 Spinocerebellar ataxia (SCA) P05129 (related)
H00408 Type I diabetes mellitus Q04759 (related)