3a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
| Internal ID | e09262dc-cc65-4823-ac2b-1c3a892f2965 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one |
| SMILES (Canonical) | COC(C12COC(=O)C1(CCC2O)CC(=O)C3=C(C=CC(=C3)O)O)OC |
| SMILES (Isomeric) | COC(C12COC(=O)C1(CCC2O)CC(=O)C3=C(C=CC(=C3)O)O)OC |
| InChI | InChI=1S/C18H22O8/c1-24-16(25-2)18-9-26-15(23)17(18,6-5-14(18)22)8-13(21)11-7-10(19)3-4-12(11)20/h3-4,7,14,16,19-20,22H,5-6,8-9H2,1-2H3 |
| InChI Key | VCCZNZDGMFCWPD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O8 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 3a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/0b8211c0-8517-11ee-b958-133bf37b1bd6.jpg "2D Structure of 3a-[2-(2,5-Dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one")
| 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 | 98.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.10% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.01% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.92% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.70% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.51% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.03% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.57% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.86% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.13% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.33% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.26% | 100.00% |
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 | 162919586 |
| LOTUS | LTS0045761 |
| wikiData | Q104199215 |