3,6,10,10-Tetramethyl-2,3,7,8,9,10-hexahydroanthra[1,2-b]furan-4,5-dione
| Internal ID | c1abd402-b746-46af-a75d-e2109e4bf7a2 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 3,6,10,10-tetramethyl-3,7,8,9-tetrahydro-2H-naphtho[2,3-g][1]benzofuran-4,5-dione |
| SMILES (Canonical) | CC1COC2=C1C(=O)C(=O)C3=C(C4=C(C=C32)C(CCC4)(C)C)C |
| SMILES (Isomeric) | CC1COC2=C1C(=O)C(=O)C3=C(C4=C(C=C32)C(CCC4)(C)C)C |
| InChI | InChI=1S/C20H22O3/c1-10-9-23-19-13-8-14-12(6-5-7-20(14,3)4)11(2)16(13)18(22)17(21)15(10)19/h8,10H,5-7,9H2,1-4H3 |
| InChI Key | CVAVSNHQPCEPRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.20 |
| CVAVSNHQPCEPRS-UHFFFAOYSA- |
| NSC-618153 |
| 3,6,10,10-Tetramethyl-2,3,7,8,9,10-hexahydroanthra[1,2-b]furan-4,5-dione |
| 3,6,10,10-tetramethyl-3,7,8,9-tetrahydro-2H-naphtho[2,3-g]benzofuran-4,5-dione |
| InChI=1/C20H22O3/c1-10-9-23-19-13-8-14-12(6-5-7-20(14,3)4)11(2)16(13)18(22)17(21)15(10)19/h8,10H,5-7,9H2,1-4H3 |
![2D Structure of 3,6,10,10-Tetramethyl-2,3,7,8,9,10-hexahydroanthra[1,2-b]furan-4,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/361010-tetramethyl-2378910-hexahydroanthra12-bfuran-45-dione.jpg "2D Structure of 3,6,10,10-Tetramethyl-2,3,7,8,9,10-hexahydroanthra[1,2-b]furan-4,5-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 | 98.13% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.54% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.25% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.34% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.78% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.65% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.48% | 86.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.87% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.79% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.76% | 96.38% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.31% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.05% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.62% | 95.89% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 82.68% | 90.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.60% | 96.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.58% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.54% | 96.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.19% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.15% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.43% | 91.49% |
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.
| Salvia aegyptiaca |
| PubChem | 358230 |
| LOTUS | LTS0136146 |
| wikiData | Q104970626 |