[5-(5-But-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl 2-methylbut-2-enoate
Internal ID | a682b3f0-3ef0-4d24-9d36-601e47270df6 |
Taxonomy | Organoheterocyclic compounds > Bi- and oligothiophenes |
IUPAC Name | [5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl 2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CC=C |
SMILES (Isomeric) | CC=C(C)C(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CC=C |
InChI | InChI=1S/C18H16O2S2/c1-4-6-7-14-8-10-16(21-14)17-11-9-15(22-17)12-20-18(19)13(3)5-2/h4-5,8-11H,1,12H2,2-3H3 |
InChI Key | JUBGNMKNDDSWOD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H16O2S2 |
Molecular Weight | 328.50 g/mol |
Exact Mass | 328.05917210 g/mol |
Topological Polar Surface Area (TPSA) | 82.80 Ų |
XlogP | 5.10 |
There are no found synonyms. |
![2D Structure of [5-(5-But-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl 2-methylbut-2-enoate 2D Structure of [5-(5-But-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-5-but-3-en-1-ynylthiophen-2-ylthiophen-2-ylmethyl-2-methylbut-2-enoate.jpg)
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 | 94.79% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.86% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.11% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.39% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 86.06% | 98.95% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.25% | 85.00% |
CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 83.80% | 81.58% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.84% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.65% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.57% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.57% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.43% | 89.00% |
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 | 163087560 |
LOTUS | LTS0165842 |
wikiData | Q105135130 |