7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
| Internal ID | 81654819-e402-42c9-a0e6-228e2f422213 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione |
| SMILES (Canonical) | CC1=CC2=C(C3=C(C(=C2O1)O)C4(CC(=O)C(=C(C4=CC3=O)C)C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C(C(=C2O1)O)C4(CC(=O)C(=C(C4=CC3=O)C)C)C)O |
| InChI | InChI=1S/C20H18O5/c1-8-5-11-17(23)15-13(21)6-12-9(2)10(3)14(22)7-20(12,4)16(15)18(24)19(11)25-8/h5-6,23-24H,7H2,1-4H3 |
| InChI Key | OAUHNCIOZPVXOD-UHFFFAOYSA-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) | 87.70 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/711-dihydroxy-34911b-tetramethyl-1h-naphtho21-f1benzofuran-26-dione.jpg "2D Structure of 7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-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 | 99.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.68% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.60% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.68% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.20% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.16% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.14% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.44% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.10% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.07% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.99% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.18% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.80% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.27% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.08% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.62% | 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.
To see more specific details click the taxa you are interested in.
| Clerodendrum bungei |
| Clerodendrum cyrtophyllum |
| Schnabelia tetradonta |
| Teucrium fruticans |
| PubChem | 51001672 |
| LOTUS | LTS0212831 |
| wikiData | Q104401389 |