KNApSAcK Metabolite C00021292
Metabolite
KNApSAcK Entry
| id | C00021292 |
|---|---|
| Name | Acetylvalerenolic acid |
| CAS RN | 84638-55-1 |
| Standard InChI | InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20) |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 2317 |
Link
ChEMBL
| By standard InChI | CHEMBL1401208 |
|---|---|
| By standard InChI Main Layer | CHEMBL1401208 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Caprifoliaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Valeriana officinalis | 19953 | Caprifoliaceae | 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) |
|---|---|---|---|---|---|
| Q03181 | Peroxisome proliferator-activated receptor delta | NR1C2 | CHEMBL1401208 |
CHEMBL1794552
(1)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1401208 |
CHEMBL1614364
(1)
|
1 / 1 |