[5-[5-[4-(3-methylbutanoyloxy)but-1-ynyl]thiophen-2-yl]thiophen-2-yl]methyl (E)-2-methylbut-2-enoate
Internal ID | 0f79cdac-2492-4a00-a5c9-2b4e75bcb881 |
Taxonomy | Organoheterocyclic compounds > Bi- and oligothiophenes |
IUPAC Name | [5-[5-[4-(3-methylbutanoyloxy)but-1-ynyl]thiophen-2-yl]thiophen-2-yl]methyl (E)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CCCOC(=O)CC(C)C |
SMILES (Isomeric) | C/C=C(\C)/C(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CCCOC(=O)CC(C)C |
InChI | InChI=1S/C23H26O4S2/c1-5-17(4)23(25)27-15-19-10-12-21(29-19)20-11-9-18(28-20)8-6-7-13-26-22(24)14-16(2)3/h5,9-12,16H,7,13-15H2,1-4H3/b17-5+ |
InChI Key | XJVZTVNLNRBKPZ-YAXRCOADSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O4S2 |
Molecular Weight | 430.60 g/mol |
Exact Mass | 430.12725165 g/mol |
Topological Polar Surface Area (TPSA) | 109.00 Ų |
XlogP | 5.70 |
There are no found synonyms. |
![2D Structure of [5-[5-[4-(3-methylbutanoyloxy)but-1-ynyl]thiophen-2-yl]thiophen-2-yl]methyl (E)-2-methylbut-2-enoate 2D Structure of [5-[5-[4-(3-methylbutanoyloxy)but-1-ynyl]thiophen-2-yl]thiophen-2-yl]methyl (E)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-5-4-3-methylbutanoyloxybut-1-ynylthiophen-2-ylthiophen-2-ylmethyl-e-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 | 95.02% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.89% | 94.73% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.93% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.66% | 99.17% |
CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 86.37% | 92.95% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.07% | 85.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.78% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.67% | 90.17% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.38% | 94.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.81% | 94.45% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 83.78% | 95.93% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.77% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.03% | 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.
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Eclipta prostrata |
PubChem | 14539997 |
LOTUS | LTS0170762 |
wikiData | Q105329259 |