KNApSAcK Metabolite C00029520
Metabolite
KNApSAcK Entry
| id | C00029520 |
|---|---|
| Name | 4,5-Di-O-caffeoylquinic acid / 4,5-Di-O-trans-caffeoyl quinic acid |
| CAS RN | 89886-30-6 |
| Standard InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,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(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34) |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 518 |
Link
ChEMBL
| By standard InChI | CHEMBL177126 |
|---|---|
| By standard InChI Main Layer | CHEMBL358821 CHEMBL149674 CHEMBL177126 CHEMBL249448 CHEMBL453276 CHEMBL453537 CHEMBL1972460 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Solidago canadensis | 59297 | Asteraceae | 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 | CHEMBL249448 |
CHEMBL1942331
(1)
|
0 / 0 |
| P15121 | Aldose reductase | Enzyme | CHEMBL249448 |
CHEMBL1942330
(1)
|
0 / 0 |