(2R,3R,4S,5S,6R)-2-[(3S)-3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 74663f16-ab11-418b-ba36-184e2191f811 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(3S)-3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O11/c1-32-17-5-4-13(9-19(17)33-2)18-11-15-8-14(10-20(34-3)25(15)36-18)16(28)6-7-35-26-24(31)23(30)22(29)21(12-27)37-26/h4-5,8-11,16,21-24,26-31H,6-7,12H2,1-3H3/t16-,21+,22+,23-,24+,26+/m0/s1 |
| InChI Key | REFSIKYTEMKKOP-RKAUSJIKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O11 |
| Molecular Weight | 520.50 g/mol |
| Exact Mass | 520.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(3S)-3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/9030bbe0-85a4-11ee-8880-31885255338f.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(3S)-3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.69% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.98% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.97% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.64% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.38% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.06% | 92.94% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.56% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.90% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.07% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.40% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.95% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.33% | 89.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.30% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.21% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.91% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.32% | 90.71% |
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.
| Styrax obassia |
| PubChem | 163045694 |
| LOTUS | LTS0148456 |
| wikiData | Q105234840 |