2'-(1-hydroxyethyl)-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione
| Internal ID | 7c77e819-eaa8-4f56-bc14-dd7bc75819d0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ortho esters |
| IUPAC Name | 2'-(1-hydroxyethyl)-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione |
| SMILES (Canonical) | CC(C1C=CC2(O1)OC3=C(C(=O)C(=O)C(=C3O2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)O |
| SMILES (Isomeric) | CC(C1C=CC2(O1)OC3=C(C(=O)C(=O)C(=C3O2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)O |
| InChI | InChI=1S/C24H18O8/c1-12(25)17-10-11-24(30-17)31-22-18(13-2-6-15(26)7-3-13)20(28)21(29)19(23(22)32-24)14-4-8-16(27)9-5-14/h2-12,17,25-27H,1H3 |
| InChI Key | AWXXFVNOBDKETB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H18O8 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 2'-(1-hydroxyethyl)-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-hydroxyethyl-47-bis4-hydroxyphenylspiro13-benzodioxole-25-2h-furan-56-dione.jpg "2D Structure of 2'-(1-hydroxyethyl)-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.28% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.81% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.73% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.02% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.96% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.93% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.78% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.40% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.33% | 94.75% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.10% | 91.38% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.60% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.48% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.13% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 14426698 |
| LOTUS | LTS0193090 |
| wikiData | Q104085925 |