11-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanoic acid
| Internal ID | 5f7c5038-77d0-4351-beaf-2fbdc3b28b6f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 11-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanoic acid |
| SMILES (Canonical) | CCCC(CCCCCCCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)C)O)O)O |
| SMILES (Isomeric) | CCCC(CCCCCCCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)C)O)O)O |
| InChI | InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36) |
| InChI Key | RWVPJPVFCOXOKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H58O17 |
| Molecular Weight | 714.80 g/mol |
| Exact Mass | 714.36740038 g/mol |
| Topological Polar Surface Area (TPSA) | 275.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 11-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/39280ad0-85e0-11ee-a970-8bca10ccfc55.jpg "2D Structure of 11-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.37% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.79% | 92.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.55% | 97.36% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.31% | 93.56% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 89.89% | 97.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.32% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.61% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.08% | 94.73% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.05% | 92.32% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.75% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.32% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.02% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.00% | 96.47% |
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.
| Cuscuta obtusiflora |
| PubChem | 85262641 |
| LOTUS | LTS0040318 |
| wikiData | Q105246781 |