8-Hydroxy-1-methoxyheptadec-9-en-4,6-diyn-3-one
| Internal ID | 5c0ace86-52a1-4238-96fa-6b4a0a5191e5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 8-hydroxy-1-methoxyheptadec-9-en-4,6-diyn-3-one |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(=O)CCOC)O |
| SMILES (Isomeric) | CCCCCCCC=CC(C#CC#CC(=O)CCOC)O |
| InChI | InChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-12-17(19)13-10-11-14-18(20)15-16-21-2/h9,12,17,19H,3-8,15-16H2,1-2H3 |
| InChI Key | FJWBUWYAOLZOKU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H26O3 |
| Molecular Weight | 290.40 g/mol |
| Exact Mass | 290.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.08% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.54% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.87% | 91.81% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.81% | 95.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.63% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.02% | 92.08% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.81% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.83% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.54% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.38% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.86% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.78% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.55% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.20% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.24% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.80% | 89.34% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.77% | 92.86% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.00% | 86.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.81% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.72% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.63% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.59% | 98.03% |
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.
| Angelica sinensis |
| PubChem | 75048852 |
| LOTUS | LTS0046394 |
| wikiData | Q104996369 |