[3-[[3-(11-Cycloheptyl-4-methylundecanoyl)oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(11-cyclohexylundecanoyloxy)propyl] 13-cyclohexyltridecanoate
| Internal ID | e10df5d9-52cb-480e-bbc8-141ce8f66e25 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Semilysobisphosphatidic acids |
| IUPAC Name | [3-[[3-(11-cycloheptyl-4-methylundecanoyl)oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(11-cyclohexylundecanoyloxy)propyl] 13-cyclohexyltridecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C61H113O11P/c1-53(35-23-13-12-16-26-38-54-39-27-19-20-28-40-54)47-48-60(64)68-49-57(62)50-70-73(66,67)71-52-58(72-61(65)46-34-18-11-7-6-9-15-25-37-56-43-31-22-32-44-56)51-69-59(63)45-33-17-10-5-3-2-4-8-14-24-36-55-41-29-21-30-42-55/h53-58,62H,2-52H2,1H3,(H,66,67) |
| InChI Key | HDDQHIGFLIJCEC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C61H113O11P |
| Molecular Weight | 1053.50 g/mol |
| Exact Mass | 1052.80205141 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 22.10 |
| There are no found synonyms. |
![2D Structure of [3-[[3-(11-Cycloheptyl-4-methylundecanoyl)oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(11-cyclohexylundecanoyloxy)propyl] 13-cyclohexyltridecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8f0f6650-8611-11ee-86d4-33290ba2ea6e.jpg "2D Structure of [3-[[3-(11-Cycloheptyl-4-methylundecanoyl)oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(11-cyclohexylundecanoyloxy)propyl] 13-cyclohexyltridecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.55% | 95.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.25% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.67% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.32% | 95.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.57% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.39% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.08% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.96% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.72% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.33% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.36% | 99.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.10% | 99.17% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 90.55% | 98.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.55% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.22% | 96.21% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.22% | 98.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.39% | 85.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.24% | 91.19% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 88.00% | 92.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.80% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.99% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.83% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.73% | 96.47% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 84.67% | 95.27% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.51% | 95.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.32% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.90% | 94.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.80% | 93.03% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.32% | 83.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.94% | 89.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.51% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.42% | 95.89% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 81.25% | 96.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.03% | 89.63% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.68% | 95.36% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.54% | 100.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.39% | 96.25% |
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 | 163014725 |
| LOTUS | LTS0135081 |
| wikiData | Q105026276 |