7-[2-(4-Methylhexyl)cyclopropyl]heptanoic acid
| Internal ID | 2d1b7bc1-74bf-4940-b7e4-0c27fc907eb1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 7-[2-(4-methylhexyl)cyclopropyl]heptanoic acid |
| SMILES (Canonical) | CCC(C)CCCC1CC1CCCCCCC(=O)O |
| SMILES (Isomeric) | CCC(C)CCCC1CC1CCCCCCC(=O)O |
| InChI | InChI=1S/C17H32O2/c1-3-14(2)9-8-11-16-13-15(16)10-6-4-5-7-12-17(18)19/h14-16H,3-13H2,1-2H3,(H,18,19) |
| InChI Key | BERJXNNKKFPJIO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H32O2 |
| Molecular Weight | 268.40 g/mol |
| Exact Mass | 268.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 7-[2-(4-Methylhexyl)cyclopropyl]heptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7-2-4-methylhexylcyclopropylheptanoic-acid.jpg "2D Structure of 7-[2-(4-Methylhexyl)cyclopropyl]heptanoic acid")
| 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 | 98.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.75% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.98% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.19% | 93.56% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 86.21% | 92.26% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.54% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.20% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.98% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.46% | 91.19% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 83.06% | 98.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.03% | 97.79% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.90% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.73% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.48% | 92.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.33% | 85.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.80% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.99% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.79% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.38% | 96.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.21% | 98.33% |
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.
| There are no matching plants. |
| PubChem | 163107426 |
| LOTUS | LTS0080407 |
| wikiData | Q104933410 |