KNApSAcK Metabolite C00033559
Metabolite
KNApSAcK Entry
| id | C00033559 |
|---|---|
| Name | 3,5-Caffeoyl quinic acid / 3,5-di-O-Caffeoylquinic acid / (-)-3,5-Dicaffeoyl quinic acid |
| CAS RN | 89919-62-0 |
| Standard InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34) |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 518 |
Link
ChEMBL
| By standard InChI | CHEMBL249447 |
|---|---|
| By standard InChI Main Layer | CHEMBL441250 CHEMBL249447 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Loganiaceae | 1 |
| Asteraceae | 1 |
| Pleosporaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Alternaria alternata | 5599 | Pleosporaceae | Fungi | |
| Scorzonera pseudodivaricata | 114288 | Asteraceae | asterids | Viridiplantae |
| Strychnos axillaris | 1037789 | Loganiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O60218 | Aldo-keto reductase family 1 member B10 | Enzyme | CHEMBL249447 |
CHEMBL1942331
(1)
|
0 / 0 |
| P15121 | Aldose reductase | Enzyme | CHEMBL249447 |
CHEMBL1942330
(1)
|
0 / 0 |