2-[(E,9R)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one
| Internal ID | 4c234fc7-4d82-4c4f-aeec-90b52093bd87 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 2-[(E,9R)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-45-41-44(48)42-46(49-45)40-37-34-31-30-32-35-38-43(47)4-2/h1-2,5-6,21-22,27-28,35,38,41-43,47H,7-20,23-26,29-34,36-37,39-40H2/b6-5-,22-21-,28-27-,38-35+/t43-/m0/s1 |
| InChI Key | DELOXYOLYWBTNR-WWURDLLHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H70O3 |
| Molecular Weight | 671.00 g/mol |
| Exact Mass | 670.53249609 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 15.20 |
| There are no found synonyms. |
![2D Structure of 2-[(E,9R)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-e9r-9-hydroxyundec-7-en-10-ynyl-6-5z11z27z-triaconta-51127-trien-29-ynylpyran-4-one.jpg "2D Structure of 2-[(E,9R)-9-hydroxyundec-7-en-10-ynyl]-6-[(5Z,11Z,27Z)-triaconta-5,11,27-trien-29-ynyl]pyran-4-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 | 98.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.39% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.93% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.30% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.13% | 83.82% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.76% | 89.34% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 86.96% | 92.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.56% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.22% | 89.63% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.11% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.83% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.74% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.25% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.53% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 163193243 |
| LOTUS | LTS0095013 |
| wikiData | Q104977308 |