(2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
| Internal ID | fbf67a26-d932-4cc4-a68b-eff3529b9ddd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-/t30-,32+,33+,34+,35+,36+/m0/s1 |
| InChI Key | KQNMHWSOZBGQAZ-BCZYNKDESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H66O6 |
| Molecular Weight | 606.90 g/mol |
| Exact Mass | 606.48593982 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of (2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4081f990-83bb-11ee-b601-1da984ec8a11.jpg "2D Structure of (2S)-4-[(3R,13R)-3,13-dihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-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 | 97.93% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.33% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.30% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.11% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.66% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.66% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.94% | 92.88% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.86% | 85.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.41% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.23% | 90.71% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.78% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.84% | 92.08% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.32% | 96.37% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.22% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.24% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.18% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.05% | 99.23% |
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.
| Uvaria calamistrata |
| PubChem | 21606644 |
| LOTUS | LTS0121276 |
| wikiData | Q105144638 |