Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
| Internal ID | 13f63705-e99f-4941-85c0-b426ef2a7f0c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone |
| SMILES (Canonical) | CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C)O)C |
| InChI | InChI=1S/C13H16O4/c1-7(2)4-5-9-10(15)6-11(16)12(8(3)14)13(9)17/h4,6,15-17H,5H2,1-3H3 |
| InChI Key | VSODLHSFRVYYBZ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.26 g/mol |
| Exact Mass | 236.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.00 |
| Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]- |
| 1-(2,4,6-Trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)ethanone |
| MFCD30592024 |
| CHEMBL1241050 |
| 1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone |
| orb1991597 |
| SCHEMBL9578229 |
| SCHEMBL31576819 |
| 2',4',6'-trihydroxy-3'-(3-methyl-2-butenyl)acetophenone |
| DTXSID10470619 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-](https://plantaedb.com/storage/docs/compounds/2023/07/ethanone-1-246-trihydroxy-3-3-methyl-2-butenylphenyl-.jpg "2D Structure of Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-")
| 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 | 97.85% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.50% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.07% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.71% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.28% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.65% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.53% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.94% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.41% | 96.95% |
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.
| Acacia saligna |
| Citrus limon |
| Helichrysum candolleanum |
| Helichrysum platypterum |
| PubChem | 11687311 |
| NPASS | NPC215392 |
| ChEMBL | CHEMBL1241050 |
| LOTUS | LTS0192747 |
| wikiData | Q82298774 |