4-[[6-[7-hydroxy-7-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxoheptyl]oxan-2-yl]methyl]-2-methyl-2H-furan-5-one
| Internal ID | 000b7b27-e11d-402b-8ee7-44dced88b1f4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 4-[[6-[7-hydroxy-7-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxoheptyl]oxan-2-yl]methyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CC2CCCC(O2)CC3=CC(OC3=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CC2CCCC(O2)CC3=CC(OC3=O)C)O)O |
| InChI | InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-12-19-31(37)33-21-22-34(42-33)32(38)20-14-13-16-28(36)25-30-18-15-17-29(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 | ZWYPFAOMSUWVRZ-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 | 7.70 |
| There are no found synonyms. |
![2D Structure of 4-[[6-[7-hydroxy-7-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxoheptyl]oxan-2-yl]methyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/15d98f20-842f-11ee-8eba-7128483fcce2.jpg "2D Structure of 4-[[6-[7-hydroxy-7-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxoheptyl]oxan-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 | 98.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.94% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.52% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.47% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.12% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.64% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.38% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.81% | 92.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.77% | 85.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.59% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.80% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.28% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.56% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.48% | 83.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.46% | 89.63% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.08% | 93.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.64% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.59% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.74% | 92.88% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.92% | 91.19% |
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 montana |
| PubChem | 163034694 |
| LOTUS | LTS0049503 |
| wikiData | Q105385322 |