2-Butan-2-yl-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione
| Internal ID | 2b56ceb9-99c6-4bfe-93eb-369592289814 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 2-butan-2-yl-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione |
| SMILES (Canonical) | CCC(C)C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O |
| SMILES (Isomeric) | CCC(C)C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O |
| InChI | InChI=1S/C22H18O6/c1-3-10(2)16-8-15(25)17-11(9-23)7-13-19(22(17)28-16)21(27)18-12(20(13)26)5-4-6-14(18)24/h4-8,10,23-24H,3,9H2,1-2H3 |
| InChI Key | HXAZTNIVBVVFJS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O6 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2-Butan-2-yl-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/2-butan-2-yl-11-hydroxy-5-hydroxymethylnaphtho23-hchromene-4712-trione.jpg "2D Structure of 2-Butan-2-yl-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione")
| 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 | 99.55% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.07% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.84% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.27% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.06% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.93% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.64% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.49% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.71% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.75% | 95.93% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.12% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.51% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.78% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.46% | 86.33% |
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 | 9929644 |
| LOTUS | LTS0010620 |
| wikiData | Q77386857 |