3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-furan]-2',11-dione
| Internal ID | 94f2672e-5d22-4259-846d-4b632a171b39 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-furan]-2',11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H20O10/c27-18-11-15-7-9-34-25(32)26(13-14-1-4-17(5-2-14)35-19(12-15)22(18)29)21(23(30)24(31)36-26)16-3-6-20(28)33-10-8-16/h1-5,8,10-12,27,29-30H,6-7,9,13H2 |
| InChI Key | LWWYSZLGCDJPQK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H20O10 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-furan]-2',11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/69edf030-8503-11ee-997d-11c9edffa1a6.jpg "2D Structure of 3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-furan]-2',11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.62% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.33% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.39% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.02% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.27% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.77% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.25% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.25% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.81% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.34% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.37% | 85.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.16% | 89.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.54% | 94.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.01% | 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.
| There are no matching plants. |
| PubChem | 163004333 |
| LOTUS | LTS0084593 |
| wikiData | Q104171407 |