3-Hydroxypentadeca-1,9-dien-4,6-diyn-8-yl acetate
| Internal ID | 152ee625-e842-4c13-bf03-66900375ffc8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-hydroxypentadeca-1,9-dien-4,6-diyn-8-yl acetate |
| SMILES (Canonical) | CCCCCC=CC(C#CC#CC(C=C)O)OC(=O)C |
| SMILES (Isomeric) | CCCCCC=CC(C#CC#CC(C=C)O)OC(=O)C |
| InChI | InChI=1S/C17H22O3/c1-4-6-7-8-9-13-17(20-15(3)18)14-11-10-12-16(19)5-2/h5,9,13,16-17,19H,2,4,6-8H2,1,3H3 |
| InChI Key | BSDJVZWJXREWPD-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H22O3 |
| Molecular Weight | 274.35 g/mol |
| Exact Mass | 274.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.90 |
| 1,9-Pentadecadiene-4,6-diyne-3,8-diol, 8-acetate |
| DTXSID801235933 |
| 8-acetoxy-1,9-pentadecadiene-4,6-diyn-3-ol |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.13% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.87% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.94% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.16% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.78% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.04% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.63% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.72% | 97.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.65% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.22% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.15% | 82.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.64% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.56% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.19% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.08% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.61% | 89.34% |
| 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 | 74191794 |
| LOTUS | LTS0057751 |
| wikiData | Q104945184 |