[5-[4,5-Dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate
| Internal ID | ec1a6e45-8b99-469f-b287-b3024776a348 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [5-[4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3=CC=C(C=C3)CCO)CO)O)O)O |
| SMILES (Isomeric) | CC(C)CC(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3=CC=C(C=C3)CCO)CO)O)O)O |
| InChI | InChI=1S/C24H36O12/c1-13(2)9-17(27)32-11-24(31)12-33-23(21(24)30)36-20-19(29)18(28)16(10-26)35-22(20)34-15-5-3-14(4-6-15)7-8-25/h3-6,13,16,18-23,25-26,28-31H,7-12H2,1-2H3 |
| InChI Key | HOJXXVSYVRHMPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O12 |
| Molecular Weight | 516.50 g/mol |
| Exact Mass | 516.22067658 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [5-[4,5-Dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b34fc1f0-83d5-11ee-8196-ff8094ebef99.jpg "2D Structure of [5-[4,5-Dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.79% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.37% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.49% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 93.45% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.41% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.00% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.63% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.92% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.52% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.70% | 95.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.59% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.08% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.79% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.95% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.77% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.69% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.32% | 92.62% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.16% | 94.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.01% | 94.33% |
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.
| Cucurbita pepo |
| PubChem | 73017147 |
| LOTUS | LTS0116810 |
| wikiData | Q105031318 |