(2R)-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-dione
| Internal ID | 924ef00e-7a05-43fe-924f-9558eea8c769 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (2R)-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-dione |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C(=CC3=C2C(=O)C4=CC=CC=C4C3=O)CO)O |
| SMILES (Isomeric) | CC(C)([C@H]1CC2=C(O1)C(=CC3=C2C(=O)C4=CC=CC=C4C3=O)CO)O |
| InChI | InChI=1S/C20H18O5/c1-20(2,24)15-8-14-16-13(7-10(9-21)19(14)25-15)17(22)11-5-3-4-6-12(11)18(16)23/h3-7,15,21,24H,8-9H2,1-2H3/t15-/m1/s1 |
| InChI Key | FSMCCTPYIROVRO-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (2R)-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2r-4-hydroxymethyl-2-2-hydroxypropan-2-yl-12-dihydronaphtho32-e1benzofuran-611-dione.jpg "2D Structure of (2R)-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,2-dihydronaphtho[3,2-e][1]benzofuran-6,11-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 | 99.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.88% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.93% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.52% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.21% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.53% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.27% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.97% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.61% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.65% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.88% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.52% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.96% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.64% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.46% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.42% | 95.93% |
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 | 163047381 |
| LOTUS | LTS0153501 |
| wikiData | Q105000773 |