Etheroleic acid
Internal ID | e36a88d4-f4dc-40e5-9d2b-fa80d09419b3 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
IUPAC Name | (9Z,11E)-12-[(E)-hex-1-enoxy]dodeca-9,11-dienoic acid |
SMILES (Canonical) | CCCCC=COC=CC=CCCCCCCCC(=O)O |
SMILES (Isomeric) | CCCC/C=C/O/C=C/C=C\CCCCCCCC(=O)O |
InChI | InChI=1S/C18H30O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h9,11,13-14,16-17H,2-8,10,12,15H2,1H3,(H,19,20)/b11-9-,16-13+,17-14+ |
InChI Key | NQNHRHWFZHFAAH-XSWVPMOFSA-N |
Popularity | 10 references in papers |
Molecular Formula | C18H30O3 |
Molecular Weight | 294.40 g/mol |
Exact Mass | 294.21949481 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 5.90 |
(9Z,11E)-12-{[(1E)-hex-1-en-1-yl]oxy}dodeca-9,11-dienoic acid |
CHEBI:133329 |
(9Z,11E)-12-[(E)-hex-1-enoxy]dodeca-9,11-dienoic acid |
12-[1-l (E)-HEXENYLOXY]-9(Z),11(E)-DODECADIENOIC ACID |
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 | 97.83% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 90.17% | 97.00% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.69% | 92.08% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.03% | 96.95% |
CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.05% | 92.26% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.77% | 83.82% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.60% | 90.17% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.49% | 96.00% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.23% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.40% | 93.56% |
CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.87% | 86.67% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.20% | 96.00% |
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.
Allium sativum |
PubChem | 25246008 |
LOTUS | LTS0211112 |
wikiData | Q76534143 |