4-Methylene-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid
| Internal ID | c28fe985-d4a2-4a47-9c6e-c58f824279fe |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H16O4/c1-3-4-5-6-8-9(10(12)13)7(2)11(14)15-8/h8-9H,2-6H2,1H3,(H,12,13) |
| InChI Key | YZCRACGZKLIGLZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.24 g/mol |
| Exact Mass | 212.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.40 |
| NSC628506 |
| 4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid |
| 4-Methylene-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid |
| BS-1226 |
| NSC-628506 |
| Q15425832 |
| 4-methylene-5-oxo-2-pentyl-tetrahydrofuran-3-carboxylic acid |
| Methylenolactocin; 3-Carboxy-2-methylene-4-pentenyl-4-butenolide; |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.79% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.42% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.65% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.71% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.70% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.58% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.65% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.58% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.37% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.23% | 96.09% |
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.
| There are no matching plants. |
| PubChem | 363541 |
| LOTUS | LTS0129059 |
| wikiData | Q15425832 |