(3R,5R)-5-dec-9-ynyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one
| Internal ID | da28d833-fd26-4a88-bf26-b241a3b3b325 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (3R,5R)-5-dec-9-ynyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one |
| SMILES (Canonical) | C#CCCCCCCCCC1CC(C(=O)O1)CC(CO)O |
| SMILES (Isomeric) | C#CCCCCCCCC[C@@H]1C[C@H](C(=O)O1)C[C@H](CO)O |
| InChI | InChI=1S/C17H28O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h1,14-16,18-19H,3-13H2/t14-,15-,16-/m1/s1 |
| InChI Key | VXZFZXZSRWYUBE-BZUAXINKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O4 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (3R,5R)-5-dec-9-ynyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r5r-5-dec-9-ynyl-3-2r-23-dihydroxypropyloxolan-2-one.jpg "2D Structure of (3R,5R)-5-dec-9-ynyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.92% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.10% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.82% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.40% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.52% | 86.92% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.79% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.62% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.25% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.26% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.33% | 90.08% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.29% | 92.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.17% | 100.00% |
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.
| Sextonia rubra |
| PubChem | 162937835 |
| LOTUS | LTS0224136 |
| wikiData | Q105298848 |