(2R,3R,4S,5S,6R)-2-[(5R,6E,12E)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 0b17ba31-4a97-4839-a8f7-07c9bd0d34c5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(5R,6E,12E)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O8/c21-12-8-5-3-1-2-4-6-10-15(11-7-9-13-22)27-20-19(26)18(25)17(24)16(14-23)28-20/h5-6,8,10,15-26H,7,9,11-14H2/b8-5+,10-6+/t15-,16+,17+,18-,19+,20+/m0/s1 |
| InChI Key | SEILEXLUXQOARF-HEEBQYJNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O8 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(5R,6E,12E)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/0a1f53c0-85c2-11ee-81c4-cf4b28bd565e.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(5R,6E,12E)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-5-yl]oxy-6-(hydroxymethyl)oxane-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.77% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.99% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.66% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.87% | 99.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.20% | 98.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.86% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.80% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.34% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.97% | 93.56% |
| CHEMBL3589 | P55263 | Adenosine kinase | 83.20% | 98.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.00% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.95% | 91.24% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.88% | 92.32% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.35% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.38% | 100.00% |
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.
| Codonopsis cordifolioidea |
| PubChem | 162901428 |
| LOTUS | LTS0136247 |
| wikiData | Q105251212 |