5-[(1E,5E)-2,6-dimethylocta-1,5,7-trienyl]furan-3-carboxylic acid
| Internal ID | 3233ced4-17b9-4277-a20c-b11d04b9f59d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 5-[(1E,5E)-2,6-dimethylocta-1,5,7-trienyl]furan-3-carboxylic acid |
| SMILES (Canonical) | CC(=CC1=CC(=CO1)C(=O)O)CCC=C(C)C=C |
| SMILES (Isomeric) | C/C(=C\C1=CC(=CO1)C(=O)O)/CC/C=C(\C)/C=C |
| InChI | InChI=1S/C15H18O3/c1-4-11(2)6-5-7-12(3)8-14-9-13(10-18-14)15(16)17/h4,6,8-10H,1,5,7H2,2-3H3,(H,16,17)/b11-6+,12-8+ |
| InChI Key | CWSVEYKHSSZGRW-DECBNBDHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 5-[(1E,5E)-2,6-dimethylocta-1,5,7-trienyl]furan-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-1e5e-26-dimethylocta-157-trienylfuran-3-carboxylic-acid.jpg "2D Structure of 5-[(1E,5E)-2,6-dimethylocta-1,5,7-trienyl]furan-3-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.46% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.38% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.61% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.29% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.33% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.52% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.16% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.73% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.89% | 89.34% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.52% | 95.71% |
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 | 6382798 |
| LOTUS | LTS0146858 |
| wikiData | Q104971501 |