1-(2,6-Dimethoxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
| Internal ID | 86b91bab-7c3f-418a-93b7-a9c581b6af88 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(2,6-dimethoxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one |
| SMILES (Canonical) | COC1=C(C(=CC=C1)OC)C(=O)CCCCCCCCC2=CC=C(C=C2)O |
| SMILES (Isomeric) | COC1=C(C(=CC=C1)OC)C(=O)CCCCCCCCC2=CC=C(C=C2)O |
| InChI | InChI=1S/C23H30O4/c1-26-21-12-9-13-22(27-2)23(21)20(25)11-8-6-4-3-5-7-10-18-14-16-19(24)17-15-18/h9,12-17,24H,3-8,10-11H2,1-2H3 |
| InChI Key | WUIAFOCKBCEKLG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H30O4 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.42% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.25% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.44% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.25% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.56% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.65% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.28% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.47% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.50% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.16% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.25% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.82% | 96.00% |
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.
| Myristica fragrans |
| PubChem | 44576023 |
| LOTUS | LTS0176975 |
| wikiData | Q105313062 |