1-(3,5-Dihydroxyphenyl)nonan-1-one
| Internal ID | 830e126f-75f3-461d-83ac-7236efe9e70a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(3,5-dihydroxyphenyl)nonan-1-one |
| SMILES (Canonical) | CCCCCCCCC(=O)C1=CC(=CC(=C1)O)O |
| SMILES (Isomeric) | CCCCCCCCC(=O)C1=CC(=CC(=C1)O)O |
| InChI | InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-15(18)12-9-13(16)11-14(17)10-12/h9-11,16-17H,2-8H2,1H3 |
| InChI Key | JMZDDMHWIVWMCV-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.40 |
| 1-(3,5-dihydroxyphenyl)nonan-1-one |
| 1-(3,5-Dihydroxyphenyl)nonan-1'-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.36% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.41% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.90% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.67% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.77% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.65% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.54% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.70% | 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.
| Actaea simplex |
| Bacopa monnieri |
| Buddleja asiatica |
| Euphorbia tithymaloides |
| Eutrema japonicum |
| Rugelia nudicaulis |
| Selenicereus undatus |
| Sibiraea angustata |
| Verbesina gigantea |
| PubChem | 49778007 |
| LOTUS | LTS0194741 |
| wikiData | Q104167922 |