Sulfurous acid, butyl tridecyl ester
| Internal ID | adaf13ba-e8bc-4db4-9924-c3fb0c10698d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds |
| IUPAC Name | butyl tridecyl sulfite |
| SMILES (Canonical) | CCCCCCCCCCCCCOS(=O)OCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCOS(=O)OCCCC |
| InChI | InChI=1S/C17H36O3S/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-6-4-2/h3-17H2,1-2H3 |
| InChI Key | XRVKVNPMLQRAQW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H36O3S |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23851618 g/mol |
| Topological Polar Surface Area (TPSA) | 54.70 Ų |
| XlogP | 7.60 |
| XRVKVNPMLQRAQW-UHFFFAOYSA-N |
| DTXSID901016053 |
| 959067-51-7 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.09% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.71% | 92.08% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.57% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.17% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.74% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.09% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.30% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.71% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.16% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.79% | 97.25% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.99% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.71% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.26% | 87.45% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.53% | 80.33% |
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.
| Pterocarpus indicus |