10-Methoxyheptadec-16-en-4,6-diyne-8,9-diol
| Internal ID | 5bc56de8-d3e2-46b8-9cfb-bb275506961d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 10-methoxyheptadec-16-en-4,6-diyne-8,9-diol |
| SMILES (Canonical) | CCCC#CC#CC(C(C(CCCCCC=C)OC)O)O |
| SMILES (Isomeric) | CCCC#CC#CC(C(C(CCCCCC=C)OC)O)O |
| InChI | InChI=1S/C18H28O3/c1-4-6-8-10-12-14-16(19)18(20)17(21-3)15-13-11-9-7-5-2/h5,16-20H,2,4,6-7,9,11,13,15H2,1,3H3 |
| InChI Key | LSMAUQIQTAVNFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O3 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.29% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.51% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.02% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.89% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.55% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.28% | 95.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.27% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.04% | 92.08% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 85.77% | 85.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.67% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.08% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.94% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.39% | 91.81% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.68% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.38% | 85.94% |
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.
| Cirsium japonicum |
| PubChem | 15730330 |
| LOTUS | LTS0129073 |
| wikiData | Q105156614 |