6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic acid
| Internal ID | b8fb2551-0cb9-40d9-a907-d1f35ee25fae |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (7E,9E)-6-hydroxyoctadeca-7,9-dien-11,13,15,17-tetraynoic acid |
| SMILES (Canonical) | C#CC#CC#CC#CC=CC=CC(CCCCC(=O)O)O |
| SMILES (Isomeric) | C#CC#CC#CC#C/C=C/C=C/C(CCCCC(=O)O)O |
| InChI | InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+ |
| InChI Key | GOOGOKNSXZDSND-QDCWQMMGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H16O3 |
| Molecular Weight | 280.30 g/mol |
| Exact Mass | 280.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.70 |
| (7E,9E)-6-hydroxyoctadeca-7,9-dien-11,13,15,17-tetraynoic acid |
| Caryoynencin |
| Caryoynencin A |
| SCHEMBL16433107 |
| 6-hydroxyoctadeca-7,9-dien-11,13,15,17-tetraynoic acid |
| CHEBI:171657 |
| CHEBI:186749 |
| LMFA01030723 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.37% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.17% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.67% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.55% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.13% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.95% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.04% | 96.00% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 84.83% | 97.34% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.41% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.26% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.49% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.35% | 98.75% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.25% | 92.26% |
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 | 6474912 |
| LOTUS | LTS0231619 |
| wikiData | Q105014310 |