(E)-1-(3,4-dihydroxy-5-methoxyphenyl)dec-4-en-3-one
| Internal ID | b8b1a24a-15a6-4cf7-ba47-f3c98dacacb3 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols > Shogaols |
| IUPAC Name | (E)-1-(3,4-dihydroxy-5-methoxyphenyl)dec-4-en-3-one |
| SMILES (Canonical) | CCCCCC=CC(=O)CCC1=CC(=C(C(=C1)OC)O)O |
| SMILES (Isomeric) | CCCCC/C=C/C(=O)CCC1=CC(=C(C(=C1)OC)O)O |
| InChI | InChI=1S/C17H24O4/c1-3-4-5-6-7-8-14(18)10-9-13-11-15(19)17(20)16(12-13)21-2/h7-8,11-12,19-20H,3-6,9-10H2,1-2H3/b8-7+ |
| InChI Key | MNESHPMIORAKQE-BQYQJAHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.73% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.77% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.91% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.26% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.64% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.57% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.34% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.04% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.54% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.99% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.94% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.78% | 90.20% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.40% | 94.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.83% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.59% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.47% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 80.31% | 90.71% |
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 | 131839410 |
| LOTUS | LTS0105235 |
| wikiData | Q105168320 |