(E,3S)-9-thiophen-2-ylnon-6-en-8-yn-3-ol
| Internal ID | 8e983e3f-7bd0-4d76-8aa5-2fd729c9c101 |
| Taxonomy | Organoheterocyclic compounds > Heteroaromatic compounds |
| IUPAC Name | (E,3S)-9-thiophen-2-ylnon-6-en-8-yn-3-ol |
| SMILES (Canonical) | CCC(CCC=CC#CC1=CC=CS1)O |
| SMILES (Isomeric) | CC[C@@H](CC/C=C/C#CC1=CC=CS1)O |
| InChI | InChI=1S/C13H16OS/c1-2-12(14)8-5-3-4-6-9-13-10-7-11-15-13/h3-4,7,10-12,14H,2,5,8H2,1H3/b4-3+/t12-/m0/s1 |
| InChI Key | BDOXYFSAWLGAAI-PCAWENJQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16OS |
| Molecular Weight | 220.33 g/mol |
| Exact Mass | 220.09218630 g/mol |
| Topological Polar Surface Area (TPSA) | 48.50 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.34% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.27% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.21% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.32% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.98% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.10% | 85.94% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 82.96% | 96.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.68% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.61% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.55% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.71% | 96.00% |
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.
| Cota tinctoria |
| PubChem | 163188840 |
| LOTUS | LTS0130100 |
| wikiData | Q104924543 |