2-[3-[5-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl]-5-hydroxyphenoxy]oxane-3,4,5-triol
| Internal ID | bc8c8d74-5ad7-41a6-931d-8007f15426f2 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[3-[5-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl]-5-hydroxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(C(O1)CC2=C(C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C |
| SMILES (Isomeric) | CC1(C(O1)CC2=C(C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C |
| InChI | InChI=1S/C24H26O9/c1-24(2)20(33-24)7-11-3-12-6-18(32-19(12)9-16(11)26)13-4-14(25)8-15(5-13)31-23-22(29)21(28)17(27)10-30-23/h3-6,8-9,17,20-23,25-29H,7,10H2,1-2H3 |
| InChI Key | CXFWUUIIDNGHQH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O9 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 2-[3-[5-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl]-5-hydroxyphenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8c620c10-8806-11ee-a3d3-5143944cf1f5.jpg "2D Structure of 2-[3-[5-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl]-5-hydroxyphenoxy]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.79% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.51% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.10% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.78% | 99.15% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.47% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.98% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.08% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.58% | 89.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.82% | 80.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.86% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.93% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.55% | 95.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.33% | 96.77% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.11% | 95.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.10% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.05% | 96.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.25% | 91.71% |
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.
| Morus alba |
| Morus nigra |
| PubChem | 74433853 |
| LOTUS | LTS0072876 |
| wikiData | Q104971847 |