KNApSAcK Metabolite C00009213
Metabolite
KNApSAcK Entry
| id | C00009213 |
|---|---|
| Name | 3-O-Galloylepicatechin-(4beta->8)-epicatechin-3-O-gallate |
| CAS RN | 79907-44-1 |
| Standard InChI | InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 29 |
Link
ChEMBL
| By standard InChI | CHEMBL39504 |
|---|---|
| By standard InChI Main Layer | CHEMBL39504 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 2 |
| asterids | 1 |
| rosids | 1 |
Family
| family name | count |
|---|---|
| Polygonaceae | 2 |
| Theaceae | 1 |
| Vitaceae | 1 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Camellia sinensis | 4442 | Theaceae | asterids | Viridiplantae |
| Polygonum multiflorum | 76025 | Polygonaceae | eudicotyledons | Viridiplantae |
| Rheum sp. | 3620 | Polygonaceae | eudicotyledons | Viridiplantae |
| Vitis vinifera | 29760 | Vitaceae | 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 | CHEMBL39504 |
CHEMBL769344
(1)
|
0 / 0 |
| Q04759 | Protein kinase C theta type | Delta | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 1 |
| Q02156 | Protein kinase C epsilon type | Eta | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| O94806 | Serine/threonine-protein kinase D3 | Pkd | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P17252 | Protein kinase C alpha type | Alpha | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| Q05655 | Protein kinase C delta type | Delta | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P05129 | Protein kinase C gamma type | Alpha | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
1 / 1 |
| P05771 | Protein kinase C beta type | Alpha | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P24723 | Protein kinase C eta type | Eta | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
1 / 0 |
| P41743 | Protein kinase C iota type | Iota | CHEMBL39504 |
CHEMBL769344
(1)
|
0 / 0 |
| Q15139 | Serine/threonine-protein kinase D1 | Pkd | CHEMBL39504 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |