4-(3,5-Dimethyl-1-benzofuran-6-yl)pentanal
| Internal ID | e5e232ed-14f6-45b3-88d3-5a0f5d5a1007 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 4-(3,5-dimethyl-1-benzofuran-6-yl)pentanal |
| SMILES (Canonical) | CC1=CC2=C(C=C1C(C)CCC=O)OC=C2C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1C(C)CCC=O)OC=C2C |
| InChI | InChI=1S/C15H18O2/c1-10(5-4-6-16)13-8-15-14(7-11(13)2)12(3)9-17-15/h6-10H,4-5H2,1-3H3 |
| InChI Key | ITYICJYSWKRJCU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O2 |
| Molecular Weight | 230.30 g/mol |
| Exact Mass | 230.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 30.20 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.82% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.55% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.41% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.64% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.04% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.27% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.92% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.55% | 93.18% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.33% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.96% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.54% | 99.17% |
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.
| Euryops arabicus |
| Ligularia macrophylla |
| Senecio pachyphyllos |
| PubChem | 14237589 |
| LOTUS | LTS0083123 |
| wikiData | Q104398636 |