2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
| Internal ID | 6512a455-fcbc-446a-82fc-396c320509c3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid |
| SMILES (Canonical) | C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1CC(=O)[C@H]([C@@H]1CC(=O)O)C/C=C\CCOC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13?,15?,16?,17?,18?/m0/s1 |
| InChI Key | JFDNMLUPLXZXGV-DKCJQCKPSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C18H28O9 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | -1.20 |
| 124649-25-8 |
![2D Structure of 2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/c3237b70-83ab-11ee-9400-87b1cd5358cf.jpg "2D Structure of 2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.68% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.14% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.08% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.52% | 92.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.74% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.48% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.06% | 93.00% |
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.
| Phyllanthus emblica |
| Solanum tuberosum |
| PubChem | 133554324 |
| LOTUS | LTS0139714 |
| wikiData | Q104375880 |