[(11S,16S)-16-acetyloxy-11-hydroxyoctadec-17-en-12,14-diynyl] acetate
| Internal ID | 91d2c636-dc59-4efc-aa23-2390a6b9d0e2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(11S,16S)-16-acetyloxy-11-hydroxyoctadec-17-en-12,14-diynyl] acetate |
| SMILES (Canonical) | CC(=O)OCCCCCCCCCCC(C#CC#CC(C=C)OC(=O)C)O |
| SMILES (Isomeric) | CC(=O)OCCCCCCCCCC[C@@H](C#CC#C[C@H](C=C)OC(=O)C)O |
| InChI | InChI=1S/C22H32O5/c1-4-22(27-20(3)24)17-13-12-16-21(25)15-11-9-7-5-6-8-10-14-18-26-19(2)23/h4,21-22,25H,1,5-11,14-15,18H2,2-3H3/t21-,22-/m0/s1 |
| InChI Key | AVKOLTWNMGUSAT-VXKWHMMOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [(11S,16S)-16-acetyloxy-11-hydroxyoctadec-17-en-12,14-diynyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/11s16s-16-acetyloxy-11-hydroxyoctadec-17-en-1214-diynyl-acetate.jpg "2D Structure of [(11S,16S)-16-acetyloxy-11-hydroxyoctadec-17-en-12,14-diynyl] 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 | 95.17% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.61% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.19% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.98% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.85% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.13% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.48% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.35% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.08% | 96.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.85% | 89.67% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.44% | 96.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.27% | 96.00% |
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.
| Cussonia zimmermannii |
| PubChem | 163038413 |
| LOTUS | LTS0151195 |
| wikiData | Q104919607 |