(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-[(2R)-2-methylbutanoyl]-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one
| Internal ID | 1a0be879-ddf0-46ad-b373-5553fc2300de |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins |
| IUPAC Name | (2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-[(2R)-2-methylbutanoyl]-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3/t11-,14+/m1/s1 |
| InChI Key | YVCSPVUIXKMOLW-RISCZKNCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-[(2R)-2-methylbutanoyl]-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/c2eb7b00-83c0-11ee-aaf2-4b2972106d57.jpg "2D Structure of (2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-[(2R)-2-methylbutanoyl]-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.32% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.19% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.25% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.71% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.83% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.49% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.19% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.76% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.37% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.05% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.96% | 85.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.95% | 95.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.93% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.34% | 95.56% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.79% | 96.37% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.46% | 94.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.05% | 95.00% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.72% | 98.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.42% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.11% | 85.14% |
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 | 162984734 |
| LOTUS | LTS0124634 |
| wikiData | Q105365193 |