1-(4-Methoxy-1-benzofuran-5-yl)-2-(2-methylbut-3-en-2-yl)-3-phenylpropane-1,3-dione
| Internal ID | 5ba06138-caa9-4d0e-a5ed-b809aca1b2f0 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-(4-methoxy-1-benzofuran-5-yl)-2-(2-methylbut-3-en-2-yl)-3-phenylpropane-1,3-dione |
| SMILES (Canonical) | CC(C)(C=C)C(C(=O)C1=CC=CC=C1)C(=O)C2=C(C3=C(C=C2)OC=C3)OC |
| SMILES (Isomeric) | CC(C)(C=C)C(C(=O)C1=CC=CC=C1)C(=O)C2=C(C3=C(C=C2)OC=C3)OC |
| InChI | InChI=1S/C23H22O4/c1-5-23(2,3)19(20(24)15-9-7-6-8-10-15)21(25)17-11-12-18-16(13-14-27-18)22(17)26-4/h5-14,19H,1H2,2-4H3 |
| InChI Key | FECOWIAOIRMVIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O4 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 56.50 Ų |
| XlogP | 5.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.49% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.98% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.36% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.78% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.64% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.35% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.45% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.43% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.84% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.57% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.10% | 97.50% |
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.
| Lonchocarpus heptaphyllus |
| PubChem | 101936575 |
| LOTUS | LTS0179701 |
| wikiData | Q104993921 |