3-Butylidene-3a,4-dihydro-2-benzofuran-1-one
| Internal ID | d03448e7-000f-4f42-84a5-1a23e0de0bcb |
| Taxonomy | Organoheterocyclic compounds > Isobenzofurans |
| IUPAC Name | 3-butylidene-3a,4-dihydro-2-benzofuran-1-one |
| SMILES (Canonical) | CCCC=C1C2CC=CC=C2C(=O)O1 |
| SMILES (Isomeric) | CCCC=C1C2CC=CC=C2C(=O)O1 |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-5,7-9H,2-3,6H2,1H3 |
| InChI Key | HYBKZIMAEUOFDE-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 g/mol |
| Exact Mass | 190.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.65% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.75% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.77% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.39% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.23% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.94% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.97% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.64% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.80% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.58% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.08% | 89.63% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.94% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
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.
| Angelica gigas |
| PubChem | 91182135 |
| LOTUS | LTS0192534 |
| wikiData | Q105035229 |