2-Hexadec-4-enyl-3-methylidenebutanedioic acid
| Internal ID | 5084409a-dcbc-419c-936e-38c1d3988d34 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 2-hexadec-4-enyl-3-methylidenebutanedioic acid |
| SMILES (Canonical) | CCCCCCCCCCCC=CCCCC(C(=C)C(=O)O)C(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC=CCCCC(C(=C)C(=O)O)C(=O)O |
| InChI | InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h13-14,19H,2-12,15-17H2,1H3,(H,22,23)(H,24,25) |
| InChI Key | DMZSLKOHRRVYHI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H36O4 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.40 |
| 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 | 97.33% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.41% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.38% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.84% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.00% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.83% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.32% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.31% | 90.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.52% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.16% | 93.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.15% | 96.47% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.95% | 97.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.04% | 96.95% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.48% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.83% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.34% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.05% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 85421136 |
| LOTUS | LTS0095090 |
| wikiData | Q104985422 |