Hexadecanoic acid der (FR. lavandula) A
| Internal ID | 1bab14bb-ad68-41af-8408-27ee08d314c5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 3-acetyloxy-16-methylheptadecanoic acid |
| SMILES (Canonical) | CC(C)CCCCCCCCCCCCC(CC(=O)O)OC(=O)C |
| SMILES (Isomeric) | CC(C)CCCCCCCCCCCCC(CC(=O)O)OC(=O)C |
| InChI | InChI=1S/C20H38O4/c1-17(2)14-12-10-8-6-4-5-7-9-11-13-15-19(16-20(22)23)24-18(3)21/h17,19H,4-16H2,1-3H3,(H,22,23) |
| InChI Key | YDAMPLFSFQVIAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H38O4 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 7.10 |
| 87538-90-7 |
| DTXSID50321651 |
| YDAMPLFSFQVIAZ-UHFFFAOYSA-N |
| NSC379490 |
| 3-Acetoxy-16-methylheptadecanoic acid |
| NSC-379490 |
| 3-(Acetyloxy)-16-methylheptadecanoic acid # |
| Heptadecanoic acid, 3-(acetyloxy)-16-methyl- |
| 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 | 96.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.76% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.13% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.89% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.74% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.43% | 94.45% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.47% | 97.06% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.03% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.01% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.25% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.42% | 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.
| Lavandula gibsonii |
| PubChem | 342514 |
| LOTUS | LTS0113643 |
| wikiData | Q82079673 |