4-[[5-[8-hydroxy-8-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one
| Internal ID | 25c07405-6f36-4942-bf2f-ffe9133a74e8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 4-[[5-[8-hydroxy-8-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CC2CCC(O2)CC3=CC(OC3=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CC2CCC(O2)CC3=CC(OC3=O)C)O)O |
| InChI | InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3 |
| InChI Key | WDZXYNFQDMBPPE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H60O7 |
| Molecular Weight | 592.80 g/mol |
| Exact Mass | 592.43390425 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 4-[[5-[8-hydroxy-8-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/115b3770-85ab-11ee-9d3a-a75941d1d402.jpg "2D Structure of 4-[[5-[8-hydroxy-8-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.64% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.15% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.81% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.16% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.94% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.59% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.20% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.48% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.69% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.07% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.74% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.14% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.32% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.90% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.58% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.00% | 94.66% |
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.
| Annona cherimola |
| Annona montana |
| Xylopia aromatica |
| PubChem | 85155477 |
| LOTUS | LTS0127142 |
| wikiData | Q105302793 |