5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-4-pentylchromen-2-one
| Internal ID | 3f01589a-c877-4fa6-bb16-4163354aa304 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-4-pentylchromen-2-one |
| SMILES (Canonical) | CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)C(C)CC)O)O |
| SMILES (Isomeric) | CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)[C@H](C)CC)O)O |
| InChI | InChI=1S/C19H24O5/c1-4-6-7-8-12-9-15(22)24-19-16(12)13(20)10-14(21)17(19)18(23)11(3)5-2/h9-11,20-21H,4-8H2,1-3H3/t11-/m1/s1 |
| InChI Key | DCXAKCWKFHIXOT-LLVKDONJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-4-pentylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-8-2r-2-methylbutanoyl-4-pentylchromen-2-one.jpg "2D Structure of 5,7-dihydroxy-8-[(2R)-2-methylbutanoyl]-4-pentylchromen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.48% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.98% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.97% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.36% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.81% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.49% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.36% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.31% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.83% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.12% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.73% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.20% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.32% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.16% | 99.23% |
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 | 162958238 |
| LOTUS | LTS0122289 |
| wikiData | Q104976002 |