1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone
| Internal ID | b55e7529-e4c6-4198-b5ec-97c52be6641c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[3-(3,7-dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)CCC=C(C)C)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)CCC=C(C)C)O)O |
| InChI | InChI=1S/C21H30O4/c1-6-15(5)20(24)19-18(23)12-17(22)16(21(19)25)11-10-14(4)9-7-8-13(2)3/h8,10,12,15,22-23,25H,6-7,9,11H2,1-5H3 |
| InChI Key | YMYBAWFGDGMZLY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-37-dimethyl-26-octadienyl-246-trihydroxyphenyl-2-methyl-1-butanone.jpg "2D Structure of 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone")
| 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 | 97.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.59% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.12% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.40% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.88% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.99% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.08% | 92.08% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 86.61% | 97.88% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.58% | 100.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.19% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.95% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.51% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.44% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.23% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.15% | 93.56% |
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.
| Achyrocline alata |
| Esenbeckia nesiotica |
| Helichrysum monticola |
| Helichrysum stenopterum |
| PubChem | 129863101 |
| LOTUS | LTS0205304 |
| wikiData | Q105350807 |