7-[5-[(E)-3-hydroxyoct-1-enyl]-3-oxocyclopenten-1-yl]heptanoic acid
| Internal ID | 2e41ead5-af29-4fe4-8415-d287952b6c3f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 7-[5-[(E)-3-hydroxyoct-1-enyl]-3-oxocyclopenten-1-yl]heptanoic acid |
| SMILES (Canonical) | CCCCCC(C=CC1CC(=O)C=C1CCCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCCC(/C=C/C1CC(=O)C=C1CCCCCCC(=O)O)O |
| InChI | InChI=1S/C20H32O4/c1-2-3-6-10-18(21)13-12-17-15-19(22)14-16(17)9-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b13-12+ |
| InChI Key | VJLFMTYQUQTBEA-OUKQBFOZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.80 |
| NSC-165558 |
![2D Structure of 7-[5-[(E)-3-hydroxyoct-1-enyl]-3-oxocyclopenten-1-yl]heptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/07/7-5-e-3-hydroxyoct-1-enyl-3-oxocyclopenten-1-ylheptanoic-acid.jpg "2D Structure of 7-[5-[(E)-3-hydroxyoct-1-enyl]-3-oxocyclopenten-1-yl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.19% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.77% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.33% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.13% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.03% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.58% | 92.08% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.03% | 95.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.00% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.78% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.75% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.25% | 91.19% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.09% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.35% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.36% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.60% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.15% | 99.23% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 82.13% | 98.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.10% | 92.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.06% | 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.
| Allium macrostemon |