(3R,5S)-3-hexadeca-9,15-dien-7-ynyl-5-(hydroxymethyl)oxolan-2-one
| Internal ID | 57eff176-7b99-4eb8-be09-58d87f756175 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (3R,5S)-3-hexadeca-9,15-dien-7-ynyl-5-(hydroxymethyl)oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(18-22)24-21(19)23/h2,7-8,19-20,22H,1,3-6,11-18H2/t19-,20+/m1/s1 |
| InChI Key | SAWFQCGSUMAJQQ-UXHICEINSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.90 |
| 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 | 97.41% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.66% | 95.92% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 93.47% | 92.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.02% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.85% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.59% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.74% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.95% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.90% | 89.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.81% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.37% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.04% | 92.88% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.23% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.00% | 89.63% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.82% | 93.99% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.05% | 98.03% |
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.
| Cananga brandisiana |
| PubChem | 163015331 |
| LOTUS | LTS0099798 |
| wikiData | Q105249171 |