7-[2-(3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid
| Internal ID | 4f98b36d-634a-47d2-80a5-8ded166993f2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid |
| SMILES (Canonical) | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O |
| InChI | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24) |
| InChI Key | BGKHCLZFGPIKKU-UHFFFAOYSA-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 | 4.40 |
| 8-iso Prostaglandin A1 |
| 15-epi Prostaglandin A1 |
| 20897-92-1 |
| 211186-29-7 |
| DTXSID50864472 |
| FT-0630410 |
| FT-0638062 |
| 15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid |
![2D Structure of 7-[2-(3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]heptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7-2-3-hydroxyoct-1-enyl-5-oxocyclopent-3-en-1-ylheptanoic-acid.jpg "2D Structure of 7-[2-(3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-en-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.51% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.22% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.37% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.83% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.45% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.32% | 95.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.24% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.66% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.61% | 90.71% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.49% | 97.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.43% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.20% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.06% | 99.23% |
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.
| Larix sibirica |
| PubChem | 4952 |
| LOTUS | LTS0085904 |
| wikiData | Q104935592 |