KNApSAcK Metabolite C00029481
Metabolite
KNApSAcK Entry
| id | C00029481 |
|---|---|
| Name | 3,5-di-O-caffeate / sochlorogenic acid a / 3,5-Dicaffeoylquinic acid |
| CAS RN | 2450-53-5 |
| 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 | 5 |
Family
| family name | count |
|---|---|
| Asteraceae | 3 |
| Apiaceae | 2 |
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Arnica montana cv.ARBO | 4246 | Asteraceae | asterids | Viridiplantae |
| Baccharis gaudichaudiana DC | 41487 | Asteraceae | asterids | Viridiplantae |
| Chaerophyllum hirsutum | 109101 | Apiaceae | asterids | Viridiplantae |
| Leontodon autumnalis | 212686 | Asteraceae | asterids | Viridiplantae |
| Ostericum koreanum | 182415 | Apiaceae | 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 |