[1-Hydroxy-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-yl] acetate
| Internal ID | dbe21e44-4963-40d5-84e2-45ddf606c968 |
| Taxonomy | Organoheterocyclic compounds > Thiophenes > 2,5-disubstituted thiophenes |
| IUPAC Name | [1-hydroxy-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-yl] acetate |
| SMILES (Canonical) | CC#CC#CC1=CC=C(S1)C#CC(CO)OC(=O)C |
| SMILES (Isomeric) | CC#CC#CC1=CC=C(S1)C#CC(CO)OC(=O)C |
| InChI | InChI=1S/C15H12O3S/c1-3-4-5-6-14-9-10-15(19-14)8-7-13(11-16)18-12(2)17/h9-10,13,16H,11H2,1-2H3 |
| InChI Key | TZEKTGLAGQXDSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O3S |
| Molecular Weight | 272.30 g/mol |
| Exact Mass | 272.05071541 g/mol |
| Topological Polar Surface Area (TPSA) | 74.80 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [1-Hydroxy-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-4-5-penta-13-diynylthiophen-2-ylbut-3-yn-2-yl-acetate.jpg "2D Structure of [1-Hydroxy-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.36% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.53% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.98% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 25014553 |
| LOTUS | LTS0222186 |
| wikiData | Q105268061 |