Niphatenone B
| Internal ID | f94a7ef6-de71-4902-b3fb-d9196ecd289e |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoalkylglycerols |
| IUPAC Name | (E)-1-[(2S)-2,3-dihydroxypropoxy]octadec-4-en-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-12-15-20(23)16-13-11-14-17-25-19-21(24)18-22/h13,16,21-22,24H,2-12,14-15,17-19H2,1H3/b16-13+/t21-/m0/s1 |
| InChI Key | UJRKZHMKHFVGBP-WMJZSHNHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H40O4 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.30 |
| RefChem:165990 |
| (E)-1-((2S)-2,3-dihydroxypropoxy)octadec-4-en-6-one |
| CHEMBL1946012 |
| SCHEMBL30104700 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.43% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.08% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.40% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.85% | 89.63% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 88.29% | 86.67% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.96% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.71% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.68% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.67% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.40% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.22% | 91.81% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.18% | 92.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.08% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.88% | 85.94% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.78% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.64% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.45% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.98% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.53% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.24% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.50% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 56946740 |
| LOTUS | LTS0239798 |
| wikiData | Q105274133 |