(2S)-4-[(8R,11R)-11-[(2R,5R)-5-[(E,1R,4S)-1,4-dihydroxyheptadec-5-enyl]oxolan-2-yl]-8,11-dihydroxyundecyl]-2-methyl-2H-furan-5-one
| Internal ID | 829d438d-2809-4c07-a7f0-019792e2ff35 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-4-[(8R,11R)-11-[(2R,5R)-5-[(E,1R,4S)-1,4-dihydroxyheptadec-5-enyl]oxolan-2-yl]-8,11-dihydroxyundecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-14-17-20-31(38)22-24-33(40)35-26-27-36(44-35)34(41)25-23-32(39)21-18-15-12-13-16-19-30-28-29(2)43-37(30)42/h17,20,28-29,31-36,38-41H,3-16,18-19,21-27H2,1-2H3/b20-17+/t29-,31+,32+,33+,34+,35+,36+/m0/s1 |
| InChI Key | HEKVJNQMNWLZTF-ZOMYDTDASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H66O7 |
| Molecular Weight | 622.90 g/mol |
| Exact Mass | 622.48085444 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of (2S)-4-[(8R,11R)-11-[(2R,5R)-5-[(E,1R,4S)-1,4-dihydroxyheptadec-5-enyl]oxolan-2-yl]-8,11-dihydroxyundecyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/24d0e8e0-8472-11ee-ae82-b369b6b3bdfb.jpg "2D Structure of (2S)-4-[(8R,11R)-11-[(2R,5R)-5-[(E,1R,4S)-1,4-dihydroxyheptadec-5-enyl]oxolan-2-yl]-8,11-dihydroxyundecyl]-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 | 98.16% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.88% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.57% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.03% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.78% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.91% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.23% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.60% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.03% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.02% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.76% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.94% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.60% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.61% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.52% | 97.29% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.38% | 96.37% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.13% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.13% | 97.79% |
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.
| Goniothalamus giganteus |
| PubChem | 10461574 |
| LOTUS | LTS0056170 |
| wikiData | Q105026876 |