3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid
| Internal ID | 8a7a81b1-fb7d-4dc3-883a-732a275d2657 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Rhamnolipids |
| IUPAC Name | 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H50O9/c1-4-6-8-10-11-13-15-16-21(18-23(29)30)36-24(31)19-22(17-14-12-9-7-5-2)37-28-27(34)26(33)25(32)20(3)35-28/h12,14,20-22,25-28,32-34H,4-11,13,15-19H2,1-3H3,(H,29,30)/b14-12+/t20-,21?,22?,25-,26+,27+,28-/m0/s1 |
| InChI Key | GWXLTEUAMDVFFH-SBYIBVSJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H50O9 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.34548317 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 5.30 |
| 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid |
![2D Structure of 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-e-3-2r3r4r5r6s-345-trihydroxy-6-methyloxan-2-yloxydec-5-enoyloxydodecanoic-acid.jpg "2D Structure of 3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.16% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.47% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.09% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.92% | 92.50% |
| CHEMBL3776 | Q14790 | Caspase-8 | 90.36% | 97.06% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.10% | 92.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.30% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.68% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.56% | 97.29% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 86.07% | 97.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.50% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.47% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.74% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.33% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.91% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.80% | 97.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.80% | 97.36% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.32% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.03% | 96.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.83% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.16% | 91.19% |
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.
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| There are no matching plants. |
| PubChem | 139590374 |
| LOTUS | LTS0087349 |
| wikiData | Q105022873 |