(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
| Internal ID | 187c2bbc-acc6-4357-b70d-3cf36f79e272 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one |
| SMILES (Canonical) | CCCCCCCCCC=CCCC(C1CCC(O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)CC(=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCC=CCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCC(=O)CCCC[C@@H]2CC(C(=O)O2)CC(=O)C)O)O |
| InChI | InChI=1S/C36H62O7/c1-3-4-5-6-7-8-9-10-11-12-15-22-32(39)34-24-25-35(43-34)33(40)23-16-13-14-19-30(38)20-17-18-21-31-27-29(26-28(2)37)36(41)42-31/h11-12,29,31-35,39-40H,3-10,13-27H2,1-2H3/t29?,31-,32-,33-,34-,35-/m1/s1 |
| InChI Key | MFMVPOLQJBZZHS-STKHMFKHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H62O7 |
| Molecular Weight | 606.90 g/mol |
| Exact Mass | 606.44955431 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of (5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/ceb54fe0-84cf-11ee-87a5-2de5588f6a04.jpg "2D Structure of (5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.10% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.46% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.38% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.39% | 97.25% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.80% | 85.94% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.79% | 95.92% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.70% | 94.66% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.17% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.14% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.07% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.61% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.35% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.16% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.78% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.33% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.16% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.95% | 99.23% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.86% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.91% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.72% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.89% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.74% | 94.73% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 82.90% | 95.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.88% | 92.88% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.67% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.74% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.52% | 95.89% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.06% | 97.50% |
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 squamosa |
| PubChem | 162821636 |
| LOTUS | LTS0172276 |
| wikiData | Q105162853 |