(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
| Internal ID | c1c51a2b-3953-4a45-a4ce-a882947783d9 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid |
| SMILES (Canonical) | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O |
| SMILES (Isomeric) | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O |
| InChI | InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)/t15-/m0/s1 |
| InChI Key | UGTSZVWDFDIWIG-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O6S |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.14500972 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 2.70 |
| 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 | 98.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.01% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.70% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.84% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.26% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.20% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 93.19% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.95% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.53% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.02% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.78% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.91% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.51% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.99% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.03% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.72% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.76% | 93.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.68% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.61% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.38% | 93.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.69% | 90.20% |
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 | 162900995 |
| LOTUS | LTS0042585 |
| wikiData | Q105272575 |