5-Heptadec-8-enyl-3-hydroxyoxolan-2-one
| Internal ID | f9ac134e-2f89-4165-8420-9e7de4f08880 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 5-heptadec-8-enyl-3-hydroxyoxolan-2-one |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC1CC(C(=O)O1)O |
| SMILES (Isomeric) | CCCCCCCCC=CCCCCCCCC1CC(C(=O)O1)O |
| InChI | InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20(22)21(23)24-19/h9-10,19-20,22H,2-8,11-18H2,1H3 |
| InChI Key | PESDJELQYIQZBG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H38O3 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.84% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.33% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.98% | 92.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.53% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.67% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.17% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.22% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.89% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.71% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.01% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.00% | 90.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.45% | 97.00% |
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.
| Garcinia mannii |
| PubChem | 377292 |
| LOTUS | LTS0180152 |
| wikiData | Q105207300 |