1-(3,4-Dimethoxyphenyl)-5-hydroxydecan-3-one
| Internal ID | c85d0f99-90e0-41e6-88c0-f992297db5f7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)-5-hydroxydecan-3-one |
| SMILES (Canonical) | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| SMILES (Isomeric) | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| InChI | InChI=1S/C18H28O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15,19H,4-8,10,13H2,1-3H3 |
| InChI Key | CTGAPJBPSCUFRO-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H28O4 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.40 |
| Methylgingerol |
| 61914-52-1 |
| CHEMBL3884952 |
| Me-[6]-Gingerol |
| SCHEMBL20668217 |
| DTXSID00813091 |
| CHEBI:172536 |
| CTGAPJBPSCUFRO-UHFFFAOYSA-N |
| BDBM50210058 |
| 1-(3,4-dimethoxyphenyl)-5-hydroxy-decan-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.85% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.10% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.97% | 92.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.17% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.53% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.01% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 88.25% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.14% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.64% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.44% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.33% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.47% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.43% | 95.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.56% | 93.31% |
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.
| Zingiber officinale |
| PubChem | 71391212 |
| LOTUS | LTS0102243 |
| wikiData | Q82791202 |