[(3S,8S)-8-acetyloxypentadeca-1,9-dien-4,6-diyn-3-yl] acetate
| Internal ID | a4443ced-4ce8-423d-ae4d-6257e9781e3d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(3S,8S)-8-acetyloxypentadeca-1,9-dien-4,6-diyn-3-yl] acetate |
| SMILES (Canonical) | CCCCCC=CC(C#CC#CC(C=C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CCCCCC=C[C@@H](C#CC#C[C@H](C=C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C19H24O4/c1-5-7-8-9-10-14-19(23-17(4)21)15-12-11-13-18(6-2)22-16(3)20/h6,10,14,18-19H,2,5,7-9H2,1,3-4H3/t18-,19-/m0/s1 |
| InChI Key | GUUWFDGOIFMLPQ-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [(3S,8S)-8-acetyloxypentadeca-1,9-dien-4,6-diyn-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3s8s-8-acetyloxypentadeca-19-dien-46-diyn-3-yl-acetate.jpg "2D Structure of [(3S,8S)-8-acetyloxypentadeca-1,9-dien-4,6-diyn-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.21% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.13% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.72% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.29% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.17% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.65% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.08% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.29% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.16% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.94% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.46% | 82.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.80% | 94.73% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.16% | 91.81% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.13% | 87.45% |
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.
| Centella asiatica |
| PubChem | 162916026 |
| LOTUS | LTS0047753 |
| wikiData | Q105020596 |