KNApSAcK Metabolite C00029948
Metabolite
KNApSAcK Entry
| id | C00029948 |
|---|---|
| Name | Methyl chlorogenate / Methyl 5-O-caffeoylquinate / Chlorogenic acid methyl ester |
| CAS RN | 29708-87-0 |
| Standard InChI | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3 |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 314 |
Link
ChEMBL
| By standard InChI | CHEMBL416955 |
|---|---|
| By standard InChI Main Layer | CHEMBL416955 CHEMBL596924 CHEMBL1765881 CHEMBL1765882 CHEMBL2048503 CHEMBL2349427 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 3 |
| Euphyllophyta | 1 |
Family
| family name | count |
|---|---|
| Bovidae | 1 |
| Flavobacteriaceae | 1 |
| Aspergillaceae | 1 |
| Apocynaceae | 1 |
| Pteridaceae | 1 |
| Sapotaceae | 1 |
| Rubiaceae | 1 |
List (7)
* NCBI
Human Protein / Gene in interaction
6 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P39900 | Macrophage metalloelastase | M10A | CHEMBL2048503 |
CHEMBL2051216
(1)
|
0 / 0 |
| P14780 | Matrix metalloproteinase-9 | M10A | CHEMBL2048503 |
CHEMBL2051215
(1)
|
2 / 2 |
| P03956 | Interstitial collagenase | M10A | CHEMBL2048503 |
CHEMBL2051212
(1)
|
0 / 1 |
| P45452 | Collagenase 3 | M10A | CHEMBL2048503 |
CHEMBL2051217
(1)
|
1 / 1 |
| P08253 | 72 kDa type IV collagenase | M10A | CHEMBL2048503 |
CHEMBL2051213
(1)
CHEMBL2051219
(1)
|
1 / 3 |
| P08254 | Stromelysin-1 | M10A | CHEMBL2048503 |
CHEMBL2051214
(1)
CHEMBL2051220
(1)
|
1 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (5)
| OMIM | preferred title | UniProt |
|---|---|---|
| #614466 | Coronary heart disease, susceptibility to, 6; chds6 |
P08254
|
| #603932 | Intervertebral disc disease; idd |
P14780
|
| #613073 | Metaphyseal anadysplasia 2; mandp2 |
P14780
|
| #259600 | Multicentric osteolysis, nodulosis, and arthropathy; mona |
P08253
|
| #602111 | Spondyloepimetaphyseal dysplasia, missouri type |
P45452
|