7-(2-Octylcyclopropyl)heptanoic acid
| Internal ID | 57d6817b-60f5-4d7c-8609-5c889029e591 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 7-(2-octylcyclopropyl)heptanoic acid |
| SMILES (Canonical) | CCCCCCCCC1CC1CCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCCCCCC1CC1CCCCCCC(=O)O |
| InChI | InChI=1S/C18H34O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20) |
| InChI Key | FSTZKYGQVCLPSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H34O2 |
| Molecular Weight | 282.50 g/mol |
| Exact Mass | 282.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.70 |
| 7-(2-OCTYLCYCLOPROPYL)HEPTANOIC ACID |
| 3569-45-7 |
| DTXSID50783538 |
| LMFA01140033 |
| 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 | 97.32% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.60% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.83% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.85% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.61% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.54% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.63% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.34% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.42% | 97.79% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.46% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.54% | 91.81% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.49% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.82% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.18% | 95.50% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.59% | 98.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.48% | 91.11% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 81.47% | 85.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.40% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.37% | 97.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.23% | 97.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.13% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.89% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.23% | 100.00% |
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.
| Gnetum gnemon |
| Litchi chinensis |
| PubChem | 71359694 |
| LOTUS | LTS0188439 |
| wikiData | Q82748356 |