8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
| Internal ID | 4319c865-6738-427e-adce-be7910fee21a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C |
| InChI | InChI=1S/C20H16O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-12H,1-2H3 |
| InChI Key | RBKWJAHRWPDNPM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H16O3 |
| Molecular Weight | 304.30 g/mol |
| Exact Mass | 304.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.10 |
| 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 6'',6''-Dimethylpyrano[2'',3'':7,8]flavone |
| 8,8-DIMETHYL-2-PHENYLPYRANO[2,3-F]CHROMEN-4-ONE |
| CHEMBL3401058 |
| SCHEMBL15944379 |
| CHEBI:183747 |
| DTXSID601346930 |
| LMPK12110020 |
| AKOS040734604 |
| 8,8-dimethyl-2-phenylpyrano[2,3-]chromen-4-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/88-dimethyl-2-phenyl-4h8h-benzo12-b34-bdipyran-4-one.jpg "2D Structure of 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-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 | 98.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.41% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.00% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.89% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.77% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.34% | 93.31% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.24% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.96% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.67% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.76% | 95.71% |
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.
| Dahlstedtia pinnata |
| Lonchocarpus subglaucescens |
| Millettia pulchra |
| PubChem | 11358607 |
| LOTUS | LTS0145397 |
| wikiData | Q105233163 |