Columbinic acid
| Internal ID | 589985fb-41f7-462a-9894-d3c848bf089d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | (5E,9Z,12Z)-octadeca-5,9,12-trienoic acid |
| SMILES (Canonical) | CCCCCC=CCC=CCCC=CCCCC(=O)O |
| SMILES (Isomeric) | CCCCC/C=C\C/C=C\CC/C=C/CCCC(=O)O |
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13+ |
| InChI Key | HXQHFNIKBKZGRP-OXXZWVFOSA-N |
| Popularity | 42 references in papers |
| Molecular Formula | C18H30O2 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.60 |
| (5E,9Z,12Z)-octadeca-5,9,12-trienoic acid |
| 5E,9Z,12Z-octadecatrienoic acid |
| RefChem:127554 |
| Trans-5, 9, 12-Octadecatirenoic Acid |
| Fatty Acid 18:3 n-6 cis, cis, trans |
| Trans,cis,cis-octadeca-5,9,12-trienoic acid |
| 5(E),9(Z),12(Z)-OCTADECATRIENOIC ACID |
| 2441-53-4 |
| Ranunculeic acid |
| Aquilegic acid |
| 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 | 96.94% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 94.41% | 97.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.68% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.44% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.90% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.42% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.72% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.54% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.44% | 85.94% |
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.
| Teucrium cubense |
| PubChem | 10423704 |
| LOTUS | LTS0190900 |
| wikiData | Q105035111 |