[(6R,7E,13S)-13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl] acetate
| Internal ID | 54b97365-38e5-4e06-8594-440ae0c3fd90 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(6R,7E,13S)-13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl] acetate |
| SMILES (Canonical) | CCCCCC(C=CC#CC#CC(C=C)O)OC(=O)C |
| SMILES (Isomeric) | CCCCC[C@H](/C=C/C#CC#C[C@H](C=C)O)OC(=O)C |
| InChI | InChI=1S/C17H22O3/c1-4-6-9-13-17(20-15(3)18)14-11-8-7-10-12-16(19)5-2/h5,11,14,16-17,19H,2,4,6,9,13H2,1,3H3/b14-11+/t16-,17+/m0/s1 |
| InChI Key | DHRILYPSUUVCTB-RRWNYDGOSA-N |
| Popularity | 0 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 | 3.70 |
| There are no found synonyms. |
![2D Structure of [(6R,7E,13S)-13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6r7e13s-13-hydroxypentadeca-714-dien-911-diyn-6-yl-acetate.jpg "2D Structure of [(6R,7E,13S)-13-hydroxypentadeca-7,14-dien-9,11-diyn-6-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.80% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.19% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.03% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.86% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.61% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.98% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.23% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.17% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.08% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.61% | 91.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.53% | 96.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.92% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.78% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.75% | 95.93% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.68% | 85.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.61% | 96.61% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.89% | 93.31% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.20% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.02% | 96.95% |
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 | 162845169 |
| LOTUS | LTS0195310 |
| wikiData | Q104980787 |