[(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate
| Internal ID | 37e545e0-5d27-4b56-b57b-808aada2f859 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | [(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H68O7/c1-5-6-7-8-9-10-14-17-20-23-26-35(44-32(3)40)37-28-29-38(46-37)36(45-33(4)41)27-24-21-18-15-12-11-13-16-19-22-25-34-30-31(2)43-39(34)42/h30-31,35-38H,5-29H2,1-4H3/t31-,35+,36+,37+,38-/m1/s1 |
| InChI Key | PSTPUNZWIKIYNV-XOMKFCCDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H68O7 |
| Molecular Weight | 649.00 g/mol |
| Exact Mass | 648.49650450 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 13.00 |
| There are no found synonyms. |
![2D Structure of [(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/00eede10-83f3-11ee-825e-c98d826a769b.jpg "2D Structure of [(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.57% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.02% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.78% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.27% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.00% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.18% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.62% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.37% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.11% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.64% | 92.86% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.02% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.01% | 94.80% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.77% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.31% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.67% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.57% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.32% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.05% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.02% | 82.69% |
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 muricata |
| PubChem | 163063086 |
| LOTUS | LTS0080705 |
| wikiData | Q105214391 |