[(1R,3R)-3-hydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-13-oxopentadecyl] acetate
| Internal ID | 03761ab8-88e5-4b91-9e38-2a99ebb87ae6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | [(1R,3R)-3-hydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-13-oxopentadecyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H68O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34+,35+,36+,37+,38+/m0/s1 |
| InChI Key | BDOAVPGXBNUKRA-UVKIPMPFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H68O8 |
| Molecular Weight | 665.00 g/mol |
| Exact Mass | 664.49141912 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
![2D Structure of [(1R,3R)-3-hydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-13-oxopentadecyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8ae20e80-85af-11ee-b17a-814f80b6731d.jpg "2D Structure of [(1R,3R)-3-hydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-13-oxopentadecyl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.89% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.19% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.58% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.64% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 95.74% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.71% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.08% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.38% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.65% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.09% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.03% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.82% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.13% | 94.80% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.15% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.83% | 94.66% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.23% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.13% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.30% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.19% | 90.71% |
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.
| Dasymaschalon sootepense |
| PubChem | 10462055 |
| LOTUS | LTS0192410 |
| wikiData | Q104667169 |