7-Octadecenoic acid
| Internal ID | d31886e1-9e8e-407c-b738-5f563e75ffc8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (E)-octadec-7-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11+ |
| InChI Key | RVUCYJXFCAVHNC-VAWYXSNFSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C18H34O2 |
| Molecular Weight | 282.50 g/mol |
| Exact Mass | 282.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.50 |
| 7E-octadecenoic acid |
| trans-7-octadecenoic acid |
| C18:1n-11 |
| (E)-octadec-7-enoic acid |
| SCHEMBL561609 |
| CHEBI:196195 |
| LMFA01030069 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha |
600 nM |
IC50 |
via Super-PRED
|
| CHEMBL2219 | P35236 | Protein-tyrosine phosphatase LC-PTP |
801 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.97% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.16% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.14% | 89.63% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 93.36% | 97.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.65% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.24% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.84% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.86% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.06% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.12% | 93.56% |
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.
| Calotropis procera |
| PubChem | 5282756 |
| LOTUS | LTS0215205 |
| wikiData | Q105246322 |