2-But-3-en-1-ynyl-5-pent-3-en-1-ynylthiophene
| Internal ID | 1a3d82b5-0836-46b1-9427-0bd5e2c97dff |
| Taxonomy | Organoheterocyclic compounds > Thiophenes > 2,5-disubstituted thiophenes |
| IUPAC Name | 2-but-3-en-1-ynyl-5-pent-3-en-1-ynylthiophene |
| SMILES (Canonical) | CC=CC#CC1=CC=C(S1)C#CC=C |
| SMILES (Isomeric) | CC=CC#CC1=CC=C(S1)C#CC=C |
| InChI | InChI=1S/C13H10S/c1-3-5-7-9-13-11-10-12(14-13)8-6-4-2/h3-5,10-11H,2H2,1H3 |
| InChI Key | IYPUSHHAQOAKMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H10S |
| Molecular Weight | 198.29 g/mol |
| Exact Mass | 198.05032149 g/mol |
| Topological Polar Surface Area (TPSA) | 28.20 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.64% | 91.49% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 90.03% | 96.74% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 89.38% | 96.42% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.12% | 90.24% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.13% | 85.30% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.72% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.38% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.09% | 98.95% |
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.
| Centaurea cineraria subsp. cineraria |
| Dahlia tubulata |
| Lepidaploa cotoneaster |
| PubChem | 53440720 |
| LOTUS | LTS0216638 |
| wikiData | Q105122871 |