3-[[2,4-dihydroxy-6-methoxy-3-[(2R)-2-methylbutanoyl]-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one
| Internal ID | 0f259caa-f581-46f0-997b-d0026ddc5e63 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3-[[2,4-dihydroxy-6-methoxy-3-[(2R)-2-methylbutanoyl]-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O7/c1-8-14(5)21(27)20-23(29)16(11-10-13(3)4)25(32-7)17(24(20)30)12-18-22(28)15(6)19(9-2)33-26(18)31/h10,14,28-30H,8-9,11-12H2,1-7H3/t14-/m1/s1 |
| InChI Key | NXAPKCRNYGADPV-CQSZACIVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 3-[[2,4-dihydroxy-6-methoxy-3-[(2R)-2-methylbutanoyl]-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/576796b0-869e-11ee-b51c-a3d4d1abe4a3.jpg "2D Structure of 3-[[2,4-dihydroxy-6-methoxy-3-[(2R)-2-methylbutanoyl]-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.28% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.91% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.03% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.49% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.32% | 97.21% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 91.55% | 95.39% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.23% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.36% | 83.57% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.53% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.51% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.77% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.27% | 96.90% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.24% | 97.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.73% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.15% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.78% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.10% | 94.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.49% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.41% | 95.56% |
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.
| Helichrysum cephaloideum |
| PubChem | 163005388 |
| LOTUS | LTS0093334 |
| wikiData | Q105186898 |