(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxododecane-5-sulfonic acid
Internal ID | 0ccbbe63-195b-4fd0-8374-7e75766fa80d |
Taxonomy | Benzenoids > Phenols > Methoxyphenols |
IUPAC Name | (5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxododecane-5-sulfonic acid |
SMILES (Canonical) | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O |
SMILES (Isomeric) | CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O |
InChI | InChI=1S/C19H30O6S/c1-3-4-5-6-7-8-17(26(22,23)24)14-16(20)11-9-15-10-12-18(21)19(13-15)25-2/h10,12-13,17,21H,3-9,11,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1 |
InChI Key | JFQYSDBJBTYGCB-KRWDZBQOSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H30O6S |
Molecular Weight | 386.50 g/mol |
Exact Mass | 386.17630985 g/mol |
Topological Polar Surface Area (TPSA) | 109.00 Ų |
XlogP | 3.80 |
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 | 98.47% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.22% | 99.17% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.85% | 95.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.69% | 94.45% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.32% | 92.08% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
CHEMBL240 | Q12809 | HERG | 93.77% | 89.76% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.91% | 95.56% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.90% | 100.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.53% | 96.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.78% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.62% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 86.27% | 98.75% |
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% |
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 | 162868799 |
LOTUS | LTS0234187 |
wikiData | Q105126851 |