2,2':5',2''-Terthiophene, 5-methyl-
| Internal ID | ce232e72-8f78-4c66-b5db-ddcf36de4a2d |
| Taxonomy | Organoheterocyclic compounds > Bi- and oligothiophenes |
| IUPAC Name | 2-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophene |
| SMILES (Canonical) | CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3 |
| SMILES (Isomeric) | CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3 |
| InChI | InChI=1S/C13H10S3/c1-9-4-5-12(15-9)13-7-6-11(16-13)10-3-2-8-14-10/h2-8H,1H3 |
| InChI Key | VSQXFWPDQQZSOA-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H10S3 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 261.99446384 g/mol |
| Topological Polar Surface Area (TPSA) | 84.70 Ų |
| XlogP | 4.80 |
| 26905-73-7 |
| 5-Methyl-2,2':5',2''-terthiophene |
| 5-Methyl-alpha-terthiophene |
| .alpha.-T Me deriv. |
| SCHEMBL498537 |
| DTXSID70181411 |
| 5-Methyl-2,2':5',2"-terthiophene |
| 5-methyl-2,2',5',2''-terthiophene |
| 2-methyl-5-[5-(2-thienyl)-2-thienyl]thiophene |
| 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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.14% | 85.30% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.02% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.05% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.68% | 95.56% |
| CHEMBL3568 | P29475 | Nitric-oxide synthase, brain | 84.59% | 95.46% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.96% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.81% | 96.09% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 82.07% | 95.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.26% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.69% | 90.24% |
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.
| Eclipta prostrata |
| Porophyllum ruderale |
| PubChem | 176446 |
| LOTUS | LTS0267682 |
| wikiData | Q83052032 |