9-Butan-2-yl-4-hydroxy-5-(4-hydroxy-3-methylbutanoyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-f]chromen-7-one
| Internal ID | 46d137a7-b2ef-43e2-b503-4ee68e93ac9e |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins |
| IUPAC Name | 9-butan-2-yl-4-hydroxy-5-(4-hydroxy-3-methylbutanoyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-f]chromen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O7/c1-6-12(3)13-9-17(26)30-22-18(13)21-14(8-16(29-21)23(4,5)28)20(27)19(22)15(25)7-11(2)10-24/h9,11-12,16,24,27-28H,6-8,10H2,1-5H3 |
| InChI Key | SEOKXJVXVXDUFN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H30O7 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 9-Butan-2-yl-4-hydroxy-5-(4-hydroxy-3-methylbutanoyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-f]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/d17f8560-85a2-11ee-bad4-0d1853df11e6.jpg "2D Structure of 9-Butan-2-yl-4-hydroxy-5-(4-hydroxy-3-methylbutanoyl)-2-(2-hydroxypropan-2-yl)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.01% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.70% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.48% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.77% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.67% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.30% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.17% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.08% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.31% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.14% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.01% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.68% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.52% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.34% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.94% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.37% | 100.00% |
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.
| Kielmeyera albopunctata |
| PubChem | 11048030 |
| LOTUS | LTS0035540 |
| wikiData | Q105251376 |