3-[1-[3-Acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]ethyl]-5-ethyl-4-hydroxy-6-methylpyran-2-one
| Internal ID | 3148ddfc-cd86-41ed-ba62-fe36b354aac6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3-[1-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]ethyl]-5-ethyl-4-hydroxy-6-methylpyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O7/c1-7-14-13(6)30-23(29)17(19(14)25)11(4)16-20(26)15(9-8-10(2)3)21(27)18(12(5)24)22(16)28/h8,11,25-28H,7,9H2,1-6H3 |
| InChI Key | LVDPVGRUFHBLMZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[1-[3-Acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]ethyl]-5-ethyl-4-hydroxy-6-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/dafb43c0-8557-11ee-afe9-83fb184a8a91.jpg "2D Structure of 3-[1-[3-Acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]ethyl]-5-ethyl-4-hydroxy-6-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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.94% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.40% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.61% | 85.30% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.31% | 83.10% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.58% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.36% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.04% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.30% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.89% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.30% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.97% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.86% | 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.
| Helichrysum italicum |
| PubChem | 71720684 |
| LOTUS | LTS0224612 |
| wikiData | Q105157805 |