4-Oxooctyl 2-hydroxyundecanoate
| Internal ID | 50ae321e-aa56-4c55-abb9-390ec0445a6d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | 4-oxooctyl 2-hydroxyundecanoate |
| SMILES (Canonical) | CCCCCCCCCC(C(=O)OCCCC(=O)CCCC)O |
| SMILES (Isomeric) | CCCCCCCCCC(C(=O)OCCCC(=O)CCCC)O |
| InChI | InChI=1S/C19H36O4/c1-3-5-7-8-9-10-11-15-18(21)19(22)23-16-12-14-17(20)13-6-4-2/h18,21H,3-16H2,1-2H3 |
| InChI Key | TXHILKJMFPGERM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O4 |
| Molecular Weight | 328.50 g/mol |
| Exact Mass | 328.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.86% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.30% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.25% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.95% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.53% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.74% | 98.03% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.26% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.24% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.20% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.69% | 92.86% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.61% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.34% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.51% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.37% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.25% | 93.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.56% | 82.69% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.18% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.71% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.71% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 80.62% | 89.76% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.27% | 94.33% |
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.
| Nerium oleander |
| PubChem | 163041663 |
| LOTUS | LTS0186637 |
| wikiData | Q105266747 |