9-Hydroxytridecyl docosanoate
| Internal ID | 76c9b353-3029-42e2-9faa-77dca1ee9838 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | 9-hydroxytridecyl docosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(CCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(CCCC)O |
| InChI | InChI=1S/C35H70O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-35(37)38-33-29-26-23-22-24-27-31-34(36)30-6-4-2/h34,36H,3-33H2,1-2H3 |
| InChI Key | SOELRCQALJYJGU-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C35H70O3 |
| Molecular Weight | 538.90 g/mol |
| Exact Mass | 538.53249609 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 14.90 |
| CHEBI:171736 |
| DTXSID101277063 |
| Docosanoic acid, 9-hydroxytridecyl ester |
| 155758-78-4 |
| 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 | 97.47% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.35% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.15% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.67% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.79% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.43% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.77% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.37% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.20% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.32% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.59% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.49% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.18% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.72% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.56% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.49% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.89% | 93.31% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.99% | 92.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.27% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.05% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.96% | 94.33% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.84% | 90.24% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 80.54% | 89.92% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.41% | 89.05% |
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.
| Artocarpus heterophyllus |
| PubChem | 129824367 |
| LOTUS | LTS0170577 |
| wikiData | Q105256899 |