2,2,5-Trimethyl-2h,8h-benzo[1,2-b:5,4-b']dipyran-8-one
| Internal ID | 5fa0bd58-2131-4699-bb48-f7a32f6285cc |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 2,2,5-trimethylpyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC1=C2C=CC(=O)OC2=CC3=C1C=CC(O3)(C)C |
| SMILES (Isomeric) | CC1=C2C=CC(=O)OC2=CC3=C1C=CC(O3)(C)C |
| InChI | InChI=1S/C15H14O3/c1-9-10-4-5-14(16)17-12(10)8-13-11(9)6-7-15(2,3)18-13/h4-8H,1-3H3 |
| InChI Key | MERPEJKVTRDNGI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 g/mol |
| Exact Mass | 242.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2,2,5-Trimethyl-2h,8h-benzo[1,2-b:5,4-b']dipyran-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/225-trimethyl-2h8h-benzo12-b54-bdipyran-8-one.jpg "2D Structure of 2,2,5-Trimethyl-2h,8h-benzo[1,2-b:5,4-b']dipyran-8-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 | 96.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.94% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.19% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.11% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.65% | 93.65% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.03% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.86% | 94.80% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.34% | 93.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.92% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.83% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.81% | 85.30% |
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.
| Pleiospermium alatum |
| PubChem | 12827169 |
| LOTUS | LTS0133979 |
| wikiData | Q105162397 |