KNApSAcK Metabolite C00009229
Metabolite
KNApSAcK Entry
| id | C00009229 |
|---|---|
| Name | [3-O-Galloylepicatechin-(4beta->8)]2-epicatechin-3-O-gallate |
| CAS RN | 106533-62-4 |
| Standard InChI | InChI=1S/C66H50O30/c67-27-16-36(75)48-46(17-27)91-58(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-42(81)55(86)43(82)13-25)52(48)50-38(77)20-39(78)51-53(63(96-66(90)26-14-44(83)56(87)45(84)15-26)59(94-61(50)51)23-3-6-31(70)35(74)9-23)49-37(76)19-32(71)28-18-47(92-64(88)24-10-40(79)54(85)41(80)11-24)57(93-60(28)49)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,57-59,62-63,67-87H,18H2/t47-,52-,53+,57-,58-,59-,62-,63-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C66H50O30/c67-27-16-36(75)48-46(17-27)91-58(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-42(81)55(86)43(82)13-25)52(48)50-38(77)20-39(78)51-53(63(96-66(90)26-14-44(83)56(87)45(84)15-26)59(94-61(50)51)23-3-6-31(70)35(74)9-23)49-37(76)19-32(71)28-18-47(92-64(88)24-10-40(79)54(85)41(80)11-24)57(93-60(28)49)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,57-59,62-63,67-87H,18H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 113 |
Link
ChEMBL
| By standard InChI | CHEMBL262261 |
|---|---|
| By standard InChI Main Layer | CHEMBL262261 CHEMBL386276 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Polygonaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Rheum sp. | 3620 | Polygonaceae | eudicotyledons | 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 | CHEMBL386276 |
CHEMBL769344
(1)
|
0 / 0 |
| Q04759 | Protein kinase C theta type | Delta | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 1 |
| Q02156 | Protein kinase C epsilon type | Eta | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| O94806 | Serine/threonine-protein kinase D3 | Pkd | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P17252 | Protein kinase C alpha type | Alpha | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| Q05655 | Protein kinase C delta type | Delta | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P05129 | Protein kinase C gamma type | Alpha | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
1 / 1 |
| P05771 | Protein kinase C beta type | Alpha | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |
| P24723 | Protein kinase C eta type | Eta | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
1 / 0 |
| P41743 | Protein kinase C iota type | Iota | CHEMBL386276 |
CHEMBL769344
(1)
|
0 / 0 |
| Q15139 | Serine/threonine-protein kinase D1 | Pkd | CHEMBL386276 |
CHEMBL769344
(1)
CHEMBL768504
(1)
|
0 / 0 |