(3-Hydroxy-1-methoxybutan-2-yl)imino-octyl-oxidoazanium
| Internal ID | 88f8036f-39d1-497f-a311-b390a422f5f6 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Trialkylamines |
| IUPAC Name | (3-hydroxy-1-methoxybutan-2-yl)imino-octyl-oxidoazanium |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H28N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h12-13,16H,4-11H2,1-3H3 |
| InChI Key | WGHHPQYWXONJQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H28N2O3 |
| Molecular Weight | 260.37 g/mol |
| Exact Mass | 260.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 70.60 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.44% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.08% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 96.89% | 87.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.55% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.77% | 92.88% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.04% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.44% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.44% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.82% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.71% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.57% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.95% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.22% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.36% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.20% | 89.63% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.75% | 92.12% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.31% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.22% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.26% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.04% | 96.47% |
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.
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| There are no matching plants. |
| PubChem | 78074351 |
| LOTUS | LTS0130325 |
| wikiData | Q104200193 |