(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-1-hydroxytridec-5-en-7,9,11-triyn-2-yl]oxyoxane-3,4,5-triol
| Internal ID | b92f2a92-0a04-4321-bfe5-780f86a25da7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-1-hydroxytridec-5-en-7,9,11-triyn-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC#CC#CC#CC=CCCC(CO)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | CC#CC#CC#C/C=C/CC[C@H](CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChI | InChI=1S/C19H24O7/c1-2-3-4-5-6-7-8-9-10-11-14(12-20)25-19-18(24)17(23)16(22)15(13-21)26-19/h8-9,14-24H,10-13H2,1H3/b9-8+/t14-,15-,16-,17+,18-,19-/m1/s1 |
| InChI Key | ADJWTXWHZNJJMU-XPHSCPBESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O7 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-1-hydroxytridec-5-en-7,9,11-triyn-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/90deb040-8603-11ee-a4ed-61cad63e7aa1.jpg "2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2R)-1-hydroxytridec-5-en-7,9,11-triyn-2-yl]oxyoxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.59% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.07% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 88.96% | 97.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.27% | 94.73% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.93% | 97.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.54% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.52% | 96.47% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.35% | 97.36% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.42% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.95% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.32% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.30% | 92.86% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.36% | 92.32% |
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.
| Bidens pilosa |
| PubChem | 162872310 |
| LOTUS | LTS0073856 |
| wikiData | Q104909634 |