1-(3,4-Dihydroxyphenyl)icosan-5-one
| Internal ID | b652d202-1a9e-4249-aaf4-b2bb3de9f6a8 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)icosan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)CCCCC1=CC(=C(C=C1)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)CCCCC1=CC(=C(C=C1)O)O |
| InChI | InChI=1S/C26H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(27)19-16-15-17-23-20-21-25(28)26(29)22-23/h20-22,28-29H,2-19H2,1H3 |
| InChI Key | PLGBEKOEYNTIDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O3 |
| Molecular Weight | 404.60 g/mol |
| Exact Mass | 404.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 9.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.66% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.82% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.98% | 95.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.46% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.55% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.86% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.83% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.44% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.03% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.96% | 97.29% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.57% | 91.49% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.62% | 96.37% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.43% | 90.24% |
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.
| Capitanopsis albida |
| Coleus sylvestris |
| PubChem | 86170140 |
| LOTUS | LTS0219539 |
| wikiData | Q105210891 |