3,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-one
| Internal ID | b5103853-b7a6-42bb-8f57-82c5c4fee5f9 |
| Taxonomy | Benzenoids > Phenalenes > Phenalenones |
| IUPAC Name | 3,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O6/c1-6-5-8(20)10-11-9(6)18-13(19(3,4)7(2)25-18)14(21)12(11)16(23)17(24)15(10)22/h5,7,20-21,23-24H,1-4H3 |
| InChI Key | LPHKSTXIALHGQT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3567-tetrahydroxy-1889-tetramethyl-9h-phenaleno12-bfuran-4-one.jpg "2D Structure of 3,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-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 | 98.33% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.64% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.53% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.51% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.12% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.95% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.14% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.38% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.14% | 94.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.14% | 80.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.05% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.58% | 94.80% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.50% | 85.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.90% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.56% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.43% | 94.42% |
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 | 138962823 |
| LOTUS | LTS0095198 |
| wikiData | Q105155177 |