4-[4-Methyl-5-(3-oxo-3-phenylprop-1-ynyl)-2-phenylfuran-3-yl]but-3-yn-2-one
| Internal ID | 6bc2de1f-d4f8-4cf8-a6db-b778c55e83e0 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[4-methyl-5-(3-oxo-3-phenylprop-1-ynyl)-2-phenylfuran-3-yl]but-3-yn-2-one |
| SMILES (Canonical) | CC1=C(OC(=C1C#CC(=O)C)C2=CC=CC=C2)C#CC(=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC1=C(OC(=C1C#CC(=O)C)C2=CC=CC=C2)C#CC(=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C24H16O3/c1-17(25)13-14-21-18(2)23(27-24(21)20-11-7-4-8-12-20)16-15-22(26)19-9-5-3-6-10-19/h3-12H,1-2H3 |
| InChI Key | KJINFXZHYHMPGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H16O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 47.30 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 4-[4-Methyl-5-(3-oxo-3-phenylprop-1-ynyl)-2-phenylfuran-3-yl]but-3-yn-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-methyl-5-3-oxo-3-phenylprop-1-ynyl-2-phenylfuran-3-ylbut-3-yn-2-one.jpg "2D Structure of 4-[4-Methyl-5-(3-oxo-3-phenylprop-1-ynyl)-2-phenylfuran-3-yl]but-3-yn-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.34% | 87.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.79% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.62% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.23% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.22% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.77% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.88% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.08% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 82.77% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.72% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.32% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.62% | 97.21% |
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.
| Artemisia capillaris |
| PubChem | 10665678 |
| LOTUS | LTS0205631 |
| wikiData | Q105141849 |