Snf-4794-11
| Internal ID | 50cdf53e-56ed-4c4c-a22c-689823cf9c78 |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
| IUPAC Name | [9-hydroxy-25-(3-hydroxy-5-sulfooxyphenyl)pentacosan-10-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H58O8S/c1-3-4-5-6-17-20-23-32(36)33(40-28(2)34)24-21-18-15-13-11-9-7-8-10-12-14-16-19-22-29-25-30(35)27-31(26-29)41-42(37,38)39/h25-27,32-33,35-36H,3-24H2,1-2H3,(H,37,38,39) |
| InChI Key | HRNQZXBCFOPQHB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H58O8S |
| Molecular Weight | 614.90 g/mol |
| Exact Mass | 614.38523998 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 11.40 |
| 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 | 99.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.33% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.63% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.22% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.00% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.10% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.73% | 92.68% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.32% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.09% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.74% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.99% | 92.86% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.96% | 85.31% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.59% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.00% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.83% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.44% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.42% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.95% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.42% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.06% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.10% | 94.33% |
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.
| There are no matching plants. |
| PubChem | 139586992 |
| LOTUS | LTS0069699 |
| wikiData | Q77518963 |