(7Z,9S,10R)-9-[(7S,8E,10E)-heptacosa-8,10,26-trien-7-yl]oxyheptacosa-7,26-dien-10-ol
| Internal ID | b9175d5a-6ff1-4825-8c76-59368b3d0914 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (7Z,9S,10R)-9-[(7S,8E,10E)-heptacosa-8,10,26-trien-7-yl]oxyheptacosa-7,26-dien-10-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H100O2/c1-5-9-13-17-20-22-24-26-28-29-30-32-33-35-37-39-41-45-49-52(48-44-16-12-8-4)56-54(51-47-43-19-15-11-7-3)53(55)50-46-42-40-38-36-34-31-27-25-23-21-18-14-10-6-2/h5-6,39,41,45,47,49,51-55H,1-2,7-38,40,42-44,46,48,50H2,3-4H3/b41-39+,49-45+,51-47-/t52-,53+,54-/m0/s1 |
| InChI Key | IJUUBJYIBHIEAM-SIDSFITLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C54H100O2 |
| Molecular Weight | 781.40 g/mol |
| Exact Mass | 780.77233243 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 23.20 |
| There are no found synonyms. |
![2D Structure of (7Z,9S,10R)-9-[(7S,8E,10E)-heptacosa-8,10,26-trien-7-yl]oxyheptacosa-7,26-dien-10-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7z9s10r-9-7s8e10e-heptacosa-81026-trien-7-yloxyheptacosa-726-dien-10-ol.jpg "2D Structure of (7Z,9S,10R)-9-[(7S,8E,10E)-heptacosa-8,10,26-trien-7-yl]oxyheptacosa-7,26-dien-10-ol")
| 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 | 96.94% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.17% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.48% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.04% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.73% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.66% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.26% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.89% | 92.86% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.81% | 98.35% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.85% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.39% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.25% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.06% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.72% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.71% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.69% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.50% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.92% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.72% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.68% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.00% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.61% | 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.
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| There are no matching plants. |
| PubChem | 162853055 |
| LOTUS | LTS0101018 |
| wikiData | Q105114152 |