5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol
| Internal ID | ece97176-c38d-41d3-b1ee-1653b7a3873a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(C(C(OC2OCCC3=CC=C(C=C3)O)CO)O)O)O)(CO)O |
| SMILES (Isomeric) | C1C(C(C(O1)OC2C(C(C(OC2OCCC3=CC=C(C=C3)O)CO)O)O)O)(CO)O |
| InChI | InChI=1S/C19H28O11/c20-7-12-13(23)14(24)15(30-18-16(25)19(26,8-21)9-28-18)17(29-12)27-6-5-10-1-3-11(22)4-2-10/h1-4,12-18,20-26H,5-9H2 |
| InChI Key | WWVATHTYIDDAQF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H28O11 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -1.70 |
| 149596-95-2 |
![2D Structure of 5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/b9e3a6b0-85eb-11ee-8f6c-352a50ea978c.jpg "2D Structure of 5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol")
| 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 | 98.45% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.84% | 95.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.69% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.77% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.97% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.55% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.54% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.82% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.31% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.29% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.36% | 98.35% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.05% | 94.23% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.89% | 94.97% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.70% | 85.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.94% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.70% | 92.94% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 82.40% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.47% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.11% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.62% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.20% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.06% | 99.17% |
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.
| Scutellaria orientalis |
| PubChem | 75061299 |
| LOTUS | LTS0169730 |
| wikiData | Q105314347 |