3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
| Internal ID | 98ce7a93-7e28-47a2-bb5d-d509edbaaa13 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 3,5-dimethoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=CC=C4)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=CC=C4)OC)C |
| InChI | InChI=1S/C22H20O5/c1-22(2)11-10-14-15(27-22)12-16(24-3)17-18(23)21(25-4)19(26-20(14)17)13-8-6-5-7-9-13/h5-12H,1-4H3 |
| InChI Key | IMHUWBJRQHCKTE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O5 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 4.30 |
| CHEBI:186241 |
| LMPK12111650 |
| 3,5-dimethoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one |
![2D Structure of 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/35-dimethoxy-88-dimethyl-2-phenyl-4h8h-benzo12-b34-bdipyran-4-one.jpg "2D Structure of 3,5-Dimethoxy-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 | 98.69% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.72% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.27% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.50% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.30% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.88% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.39% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.29% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.21% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.65% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.60% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.20% | 93.31% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.84% | 94.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.14% | 96.09% |
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.
| Lonchocarpus heptaphyllus |
| PubChem | 15546329 |
| LOTUS | LTS0210219 |
| wikiData | Q105115667 |