(11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-6-one
| Internal ID | d5282e3a-d0c7-4669-a991-d85445b5a9d2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-6-one |
| SMILES (Canonical) | CC1=CC2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=C(C3=O)O)(C)C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C(C(=C2O1)O)[C@]4(CCCC(C4=C(C3=O)O)(C)C)C)O |
| InChI | InChI=1S/C20H22O5/c1-9-8-10-13(21)11-12(15(23)17(10)25-9)20(4)7-5-6-19(2,3)18(20)16(24)14(11)22/h8,21,23-24H,5-7H2,1-4H3/t20-/m1/s1 |
| InChI Key | WYFPXHKGBRCNFN-HXUWFJFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/11br-5711-trihydroxy-44911b-tetramethyl-23-dihydro-1h-naphtho21-f1benzofuran-6-one.jpg "2D Structure of (11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-6-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 | 99.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.32% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.17% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.91% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.44% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.24% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.29% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.54% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.25% | 93.99% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.66% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.98% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.90% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.98% | 96.43% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.98% | 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.
| Teucrium polium |
| PubChem | 52942554 |
| LOTUS | LTS0045803 |
| wikiData | Q105322170 |