5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
| Internal ID | b6de6ac5-a0db-40bf-99ab-4bf91f445ec7 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-4-propylchromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m1/s1 |
| InChI Key | FSOGIJPGPZWNGO-CYBMUJFWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-4-propylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-8-2r-2-methylbutanoyl-6-3-methylbut-2-enyl-4-propylchromen-2-one.jpg "2D Structure of 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-4-propylchromen-2-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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 99.29% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.99% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.63% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.13% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.69% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.16% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.22% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.06% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.48% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.19% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.72% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.73% | 99.17% |
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.
| Calophyllum brasiliense |
| PubChem | 163042714 |
| LOTUS | LTS0096210 |
| wikiData | Q105000804 |