4-(12,13-Dihydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl)oxy-2,3,5-trihydroxypentanoic acid
| Internal ID | d27cae08-afe9-4f21-8fb4-953f58ffdfb2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 4-(12,13-dihydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl)oxy-2,3,5-trihydroxypentanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCC(C(CCCC(C)CC(C)C=C(C)C(=O)C(C)C(=O)OC(CO)C(C(C(=O)O)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(C(CCCC(C)CC(C)C=C(C)C(=O)C(C)C(=O)OC(CO)C(C(C(=O)O)O)O)O)O |
| InChI | InChI=1S/C33H60O10/c1-6-7-8-9-10-11-12-13-14-17-26(35)27(36)18-15-16-22(2)19-23(3)20-24(4)29(37)25(5)33(42)43-28(21-34)30(38)31(39)32(40)41/h20,22-23,25-28,30-31,34-36,38-39H,6-19,21H2,1-5H3,(H,40,41) |
| InChI Key | YOLXESBEJUJVER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H60O10 |
| Molecular Weight | 616.80 g/mol |
| Exact Mass | 616.41864811 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.01% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.28% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.01% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.41% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.83% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.85% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.11% | 87.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.04% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.80% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.95% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.10% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.96% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.54% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.40% | 82.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.46% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.15% | 90.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.84% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.61% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.86% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.69% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.40% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.89% | 93.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.07% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 75046277 |
| LOTUS | LTS0239608 |
| wikiData | Q104201916 |