9-Cyclopropylnonanoic acid
| Internal ID | 0b906dde-aedc-4dd8-8820-9470fa96b448 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Carbocyclic fatty acids |
| IUPAC Name | 9-cyclopropylnonanoic acid |
| SMILES (Canonical) | C1CC1CCCCCCCCC(=O)O |
| SMILES (Isomeric) | C1CC1CCCCCCCCC(=O)O |
| InChI | InChI=1S/C12H22O2/c13-12(14)8-6-4-2-1-3-5-7-11-9-10-11/h11H,1-10H2,(H,13,14) |
| InChI Key | YVSYMQVXJYGAJL-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 g/mol |
| Exact Mass | 198.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.70 |
| 5617-97-0 |
| Cyclopropanenonanoic acid |
| 9-cyclopropylnonanoicacid |
| SCHEMBL11848931 |
| DTXSID20574814 |
| YVSYMQVXJYGAJL-UHFFFAOYSA-N |
| LMFA01140056 |
| AKOS030592825 |
| EN300-1073349 |
| Z1262515364 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 95.41% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.49% | 99.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 88.93% | 92.26% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.75% | 95.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.33% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.01% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.82% | 85.31% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.56% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.56% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.36% | 91.19% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.89% | 98.10% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cydonia oblonga |
| Juglans regia |
| PubChem | 15579939 |
| LOTUS | LTS0201975 |
| wikiData | Q104996416 |