[2-(3-Thiophen-2-ylthiophen-2-yl)thiophen-3-ylidene]methyl 3-methylbut-2-enoate
| Internal ID | e5a226d9-5549-4716-9e60-c6a206837332 |
| Taxonomy | Organoheterocyclic compounds > Bi- and oligothiophenes |
| IUPAC Name | [2-(3-thiophen-2-ylthiophen-2-yl)thiophen-3-ylidene]methyl 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OC=C1C=CSC1C2=C(C=CS2)C3=CC=CS3)C |
| SMILES (Isomeric) | CC(=CC(=O)OC=C1C=CSC1C2=C(C=CS2)C3=CC=CS3)C |
| InChI | InChI=1S/C18H16O2S3/c1-12(2)10-16(19)20-11-13-5-8-22-17(13)18-14(6-9-23-18)15-4-3-7-21-15/h3-11,17H,1-2H3 |
| InChI Key | CSCRSIPOUKXUND-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O2S3 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.03124327 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [2-(3-Thiophen-2-ylthiophen-2-yl)thiophen-3-ylidene]methyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-thiophen-2-ylthiophen-2-ylthiophen-3-ylidenemethyl-3-methylbut-2-enoate.jpg "2D Structure of [2-(3-Thiophen-2-ylthiophen-2-yl)thiophen-3-ylidene]methyl 3-methylbut-2-enoate")
| 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 | 96.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.55% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.01% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 86.64% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.45% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.15% | 99.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.00% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.52% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.29% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.53% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.26% | 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.
| Eclipta prostrata |
| PubChem | 163192246 |
| LOTUS | LTS0168234 |
| wikiData | Q104969075 |