5,7,8,11-tetrahydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
| Internal ID | e44ed211-34f1-4cfa-9918-b31def1b3be2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5,7,8,11-tetrahydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one |
| SMILES (Canonical) | CC1C(C2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=C(C3=O)O)(C)C)C)O)O |
| SMILES (Isomeric) | CC1C(C2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=C(C3=O)O)(C)C)C)O)O |
| InChI | InChI=1S/C20H24O6/c1-8-12(21)10-13(22)9-11(15(24)17(10)26-8)20(4)7-5-6-19(2,3)18(20)16(25)14(9)23/h8,12,21-22,24-25H,5-7H2,1-4H3 |
| InChI Key | ZBOBUWDPMWUBSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 5,7,8,11-tetrahydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/57811-tetrahydroxy-44911b-tetramethyl-2389-tetrahydro-1h-naphtho21-f1benzofuran-6-one.jpg "2D Structure of 5,7,8,11-tetrahydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-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 | 98.39% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.07% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.13% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.00% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.60% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.55% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.00% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.72% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.58% | 100.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.76% | 99.29% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.66% | 96.77% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 83.45% | 92.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.70% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.06% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.76% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.20% | 96.43% |
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 | 75968705 |
| LOTUS | LTS0112884 |
| wikiData | Q105217291 |