2-(5-Hexadecylfuran-2-yl)-acetic acid
| Internal ID | 7d1c6279-34d5-4d0b-b4d5-cfb7e039cfc7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids > Furanoid fatty acids |
| IUPAC Name | 2-(5-hexadecylfuran-2-yl)acetic acid |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC1=CC=C(O1)CC(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCC1=CC=C(O1)CC(=O)O |
| InChI | InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24) |
| InChI Key | MYKNDMTYMCTYAG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H38O3 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 8.70 |
| 5-hexadecyl-2-furanethanoic acid |
| Plakorsin B |
| CHEMBL478746 |
| CHEBI:187337 |
| LMFA01150044 |
| 2-(5-hexadecyluran-2-yl)acetic acid |
| 2-(5-hexadecylfuran-2-yl)acetic 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 | 97.61% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.41% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.76% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.37% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.88% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.10% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.74% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.33% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.84% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.08% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.01% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 10473105 |
| LOTUS | LTS0085343 |
| wikiData | Q105174981 |