Corticatic acid A
| Internal ID | d3a9cd2b-d647-47b7-8fde-8257ceb807ee |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | (4Z,17Z,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid |
| SMILES (Canonical) | C#CC(C=CCCCCCC#CCC=CCCCCCCCCCCCC=CC#CC(=O)O)O |
| SMILES (Isomeric) | C#CC(/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O)O |
| InChI | InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23-,28-26+ |
| InChI Key | ACNZSZPAYNDIRJ-SWFYLXDKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H44O3 |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 10.10 |
| 160219-89-6 |
| (4Z,17Z,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid |
| CHEMBL470465 |
| BDBM50478556 |
| 4,17,27-Hentriacontatriene-2,20,30-triynoic acid, 29-hydroxy-, (E,Z,Z)- |
| 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 | 94.59% | 99.17% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 92.69% | 92.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.15% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.99% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.69% | 96.00% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 82.66% | 95.52% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.33% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.90% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.87% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.08% | 90.20% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.06% | 98.75% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.22% | 85.83% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.16% | 97.00% |
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.
| There are no matching plants. |
| PubChem | 6443296 |
| LOTUS | LTS0057300 |
| wikiData | Q104909204 |