(7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
| Internal ID | 4256b09e-e571-4f77-b4e3-31702ae787cc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one |
| SMILES (Canonical) | CCCC(=O)CCC=CC=CC#CC#CCC=CCO |
| SMILES (Isomeric) | CCCC(=O)CC/C=C/C=C/C#CC#CC/C=C\CO |
| InChI | InChI=1S/C18H22O2/c1-2-15-18(20)16-13-11-9-7-5-3-4-6-8-10-12-14-17-19/h5,7,9,11-12,14,19H,2,10,13,15-17H2,1H3/b7-5+,11-9+,14-12- |
| InChI Key | ZFOBEJMRESDBPQ-XHWFXLNJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O2 |
| Molecular Weight | 270.40 g/mol |
| Exact Mass | 270.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.20 |
| CHEBI:229073 |
| (7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one |
| 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 | 90.60% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.08% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.55% | 89.34% |
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.
| Clerodendrum bungei |