10-(7-Ethyl-8,9-dihydroxy-2,4,4,6-tetramethyl-1,3-dioxoanthracen-2-yl)-5,12-dihydroxy-2,8,8,10-tetramethyl-1,2-dihydronaphtho[7,6-f]isochromene-4,9,11-trione
| Internal ID | 4a9a17af-c038-4d3e-bf9b-43fae3c9cda1 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 10-(7-ethyl-8,9-dihydroxy-2,4,4,6-tetramethyl-1,3-dioxoanthracen-2-yl)-5,12-dihydroxy-2,8,8,10-tetramethyl-1,2-dihydronaphtho[7,6-f]isochromene-4,9,11-trione |
| SMILES (Canonical) | CCC1=C(C2=C(C3=C(C=C2C=C1C)C(C(=O)C(C3=O)(C)C4(C(=O)C5=C(C=C6C=C(C7=C(C6=C5O)CC(OC7=O)C)O)C(C4=O)(C)C)C)(C)C)O)O |
| SMILES (Isomeric) | CCC1=C(C2=C(C3=C(C=C2C=C1C)C(C(=O)C(C3=O)(C)C4(C(=O)C5=C(C=C6C=C(C7=C(C6=C5O)CC(OC7=O)C)O)C(C4=O)(C)C)C)(C)C)O)O |
| InChI | InChI=1S/C41H40O10/c1-10-20-16(2)11-18-13-22-29(32(45)26(18)30(20)43)34(47)41(9,36(49)38(22,4)5)40(8)33(46)28-23(39(6,7)37(40)50)14-19-15-24(42)27-21(25(19)31(28)44)12-17(3)51-35(27)48/h11,13-15,17,42-45H,10,12H2,1-9H3 |
| InChI Key | OTOBPPRYEHEVMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H40O10 |
| Molecular Weight | 692.70 g/mol |
| Exact Mass | 692.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of 10-(7-Ethyl-8,9-dihydroxy-2,4,4,6-tetramethyl-1,3-dioxoanthracen-2-yl)-5,12-dihydroxy-2,8,8,10-tetramethyl-1,2-dihydronaphtho[7,6-f]isochromene-4,9,11-trione](https://plantaedb.com/storage/docs/compounds/2023/11/c39097d0-84cf-11ee-8973-bd47192b4de7.jpg "2D Structure of 10-(7-Ethyl-8,9-dihydroxy-2,4,4,6-tetramethyl-1,3-dioxoanthracen-2-yl)-5,12-dihydroxy-2,8,8,10-tetramethyl-1,2-dihydronaphtho[7,6-f]isochromene-4,9,11-trione")
| 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 | 99.55% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.46% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 93.28% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.55% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.41% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.77% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.65% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.60% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.37% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.25% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.08% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.34% | 96.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.77% | 82.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.57% | 80.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.24% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.98% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.76% | 96.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.68% | 92.68% |
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.
| There are no matching plants. |
| PubChem | 162925286 |
| LOTUS | LTS0231681 |
| wikiData | Q105199719 |