[5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
| Internal ID | 5f0ae4bf-19ae-416f-9473-93bd2e958c85 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [5-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O |
| SMILES (Isomeric) | C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O |
| InChI | InChI=1S/C25H30O12/c26-10-14-6-8-16(9-7-14)35-23-20(19(29)18(28)17(11-27)36-23)37-24-21(30)25(32,13-34-24)12-33-22(31)15-4-2-1-3-5-15/h1-9,17-21,23-24,26-30,32H,10-13H2 |
| InChI Key | AXZMIAQIIFBOLT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O12 |
| Molecular Weight | 522.50 g/mol |
| Exact Mass | 522.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/7dd76a70-8606-11ee-94d9-bd5577db54c2.jpg "2D Structure of [5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate")
| 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 | 96.80% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.59% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.23% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.79% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.78% | 94.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.72% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.09% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.87% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.75% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.81% | 90.00% |
| CHEMBL209 | P07477 | Trypsin I | 84.10% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.86% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.81% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.40% | 92.67% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.08% | 93.81% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.99% | 83.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.60% | 96.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.06% | 89.44% |
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 moschata |
| PubChem | 72959223 |
| LOTUS | LTS0020866 |
| wikiData | Q104920936 |