(2R)-2-[(11R)-11-[(2R,5R)-5-[(1S,10S)-1,10-dihydroxytridecyl]oxolan-2-yl]-11-hydroxyundecyl]-4-(2-oxopropyl)-2H-furan-5-one
| Internal ID | 0167b723-85c9-4f1b-92ef-12d7a4f07b42 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (2R)-2-[(11R)-11-[(2R,5R)-5-[(1S,10S)-1,10-dihydroxytridecyl]oxolan-2-yl]-11-hydroxyundecyl]-4-(2-oxopropyl)-2H-furan-5-one |
| SMILES (Canonical) | CCCC(CCCCCCCCC(C1CCC(O1)C(CCCCCCCCCCC2C=C(C(=O)O2)CC(=O)C)O)O)O |
| SMILES (Isomeric) | CCC[C@@H](CCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@@H]2C=C(C(=O)O2)CC(=O)C)O)O)O |
| InChI | InChI=1S/C35H62O7/c1-3-18-29(37)19-14-10-8-9-13-17-22-32(39)34-24-23-33(42-34)31(38)21-16-12-7-5-4-6-11-15-20-30-26-28(25-27(2)36)35(40)41-30/h26,29-34,37-39H,3-25H2,1-2H3/t29-,30+,31+,32-,33+,34+/m0/s1 |
| InChI Key | ISIBSQUCPZJLHC-JYDMMBCBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H62O7 |
| Molecular Weight | 594.90 g/mol |
| Exact Mass | 594.44955431 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(11R)-11-[(2R,5R)-5-[(1S,10S)-1,10-dihydroxytridecyl]oxolan-2-yl]-11-hydroxyundecyl]-4-(2-oxopropyl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/8e29c760-861f-11ee-8526-4d49113c8d30.jpg "2D Structure of (2R)-2-[(11R)-11-[(2R,5R)-5-[(1S,10S)-1,10-dihydroxytridecyl]oxolan-2-yl]-11-hydroxyundecyl]-4-(2-oxopropyl)-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 | 98.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.98% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.89% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.71% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.24% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.48% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.11% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
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 montana |
| PubChem | 162842620 |
| LOTUS | LTS0199036 |
| wikiData | Q105119542 |