5-(2-Acetyl-5-methylcyclopentyl)-5-hydroxy-4-propan-2-ylfuran-2-one
| Internal ID | 7e704bf8-d6ec-4139-8f86-b798241d6c78 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 5-(2-acetyl-5-methylcyclopentyl)-5-hydroxy-4-propan-2-ylfuran-2-one |
| SMILES (Canonical) | CC1CCC(C1C2(C(=CC(=O)O2)C(C)C)O)C(=O)C |
| SMILES (Isomeric) | CC1CCC(C1C2(C(=CC(=O)O2)C(C)C)O)C(=O)C |
| InChI | InChI=1S/C15H22O4/c1-8(2)12-7-13(17)19-15(12,18)14-9(3)5-6-11(14)10(4)16/h7-9,11,14,18H,5-6H2,1-4H3 |
| InChI Key | LNHHETCHVOGQEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.78% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.24% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.14% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.15% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.10% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.04% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.69% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.89% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.00% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.62% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.23% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.00% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.96% | 94.80% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.51% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.32% | 94.45% |
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.
| Alpinia japonica |
| PubChem | 13855701 |
| LOTUS | LTS0080371 |
| wikiData | Q105154338 |