5-Hydroxy-4,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-3,6,7,11-tetrone
| Internal ID | 3ccf5078-b491-4246-bcf2-48f47e7df8d8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
| IUPAC Name | 5-hydroxy-4,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-3,6,7,11-tetrone |
| SMILES (Canonical) | CC1=CC2=C(O1)C(=O)C3=C(C2=O)C(=O)C(=C4C3(CCC(=O)C4(C)C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(O1)C(=O)C3=C(C2=O)C(=O)C(=C4C3(CCC(=O)C4(C)C)C)O |
| InChI | InChI=1S/C20H18O6/c1-8-7-9-13(22)11-12(15(24)17(9)26-8)20(4)6-5-10(21)19(2,3)18(20)16(25)14(11)23/h7,25H,5-6H2,1-4H3 |
| InChI Key | ROKKWWWUAUNDCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-4,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-3,6,7,11-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-44911b-tetramethyl-12-dihydronaphtho21-f1benzofuran-36711-tetrone.jpg "2D Structure of 5-Hydroxy-4,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-3,6,7,11-tetrone")
| 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 | 98.08% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.26% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.51% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.36% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.28% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.14% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.93% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.48% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.03% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.66% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.94% | 93.04% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.44% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.04% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.87% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.77% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 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.
To see more specific details click the taxa you are interested in.
| Teucrium polium |
| PubChem | 162937005 |
| LOTUS | LTS0097662 |
| wikiData | Q105242278 |