[3-Hydroxy-2-(2-methylbut-2-enoyloxy)propyl] decanoate
| Internal ID | 2801065f-aa2b-4420-b858-3dd6e97a887c |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Diradylglycerols > Diacylglycerols > 1,2-diacylglycerols |
| IUPAC Name | [3-hydroxy-2-(2-methylbut-2-enoyloxy)propyl] decanoate |
| SMILES (Canonical) | CCCCCCCCCC(=O)OCC(CO)OC(=O)C(=CC)C |
| SMILES (Isomeric) | CCCCCCCCCC(=O)OCC(CO)OC(=O)C(=CC)C |
| InChI | InChI=1S/C18H32O5/c1-4-6-7-8-9-10-11-12-17(20)22-14-16(13-19)23-18(21)15(3)5-2/h5,16,19H,4,6-14H2,1-3H3 |
| InChI Key | STNLSIJULCNWGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H32O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [3-Hydroxy-2-(2-methylbut-2-enoyloxy)propyl] decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-2-2-methylbut-2-enoyloxypropyl-decanoate.jpg "2D Structure of [3-Hydroxy-2-(2-methylbut-2-enoyloxy)propyl] decanoate")
| 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 | 97.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.31% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.64% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.96% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.55% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.84% | 92.08% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.09% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.46% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.38% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.27% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.43% | 89.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.86% | 97.21% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.81% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.12% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.11% | 91.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.78% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.40% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.49% | 87.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.36% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.62% | 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.
| Helichrysum argyrophyllum |
| PubChem | 162915596 |
| LOTUS | LTS0080636 |
| wikiData | Q105260435 |