11-(3-Pentyloxiran-2-yl)undec-9-enoic acid
| Internal ID | 9fff6cb4-47af-41cd-bb28-299cab78dcad |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 11-(3-pentyloxiran-2-yl)undec-9-enoic acid |
| SMILES (Canonical) | CCCCCC1C(O1)CC=CCCCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCCC1C(O1)CC=CCCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20) |
| InChI Key | CCPPLLJZDQAOHD-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C18H32O3 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 5.60 |
| NCIOpen2_002285 |
| CBiol_001810 |
| KBioGR_000082 |
| KBioSS_000082 |
| SCHEMBL1568580 |
| KBio2_000082 |
| KBio2_002650 |
| KBio2_005218 |
| KBio3_000163 |
| KBio3_000164 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.13% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.26% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.13% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.42% | 97.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.04% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.86% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.15% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.92% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.25% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.97% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.94% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.31% | 97.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.26% | 90.17% |
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.
| Baccharoides anthelmintica |
| Colocasia antiquorum |
| Galeopsis bifida |
| Pithecellobium dulce |
| Turnera ulmifolia |
| PubChem | 1416 |
| LOTUS | LTS0126926 |
| wikiData | Q82975646 |