Gallicynoic Acid H
| Internal ID | f8126836-9a3d-4cd8-a54b-15afdea0eabc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (9S,12R)-9,12-dihydroxyhexadec-10-ynoic acid |
| SMILES (Canonical) | CCCCC(C#CC(CCCCCCCC(=O)O)O)O |
| SMILES (Isomeric) | CCCC[C@H](C#C[C@H](CCCCCCCC(=O)O)O)O |
| InChI | InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1 |
| InChI Key | VAEJVKIWYRYFDG-CABCVRRESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H28O4 |
| Molecular Weight | 284.39 g/mol |
| Exact Mass | 284.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.65% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.09% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.40% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.51% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.23% | 85.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.05% | 83.82% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 86.29% | 92.26% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.20% | 97.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.17% | 97.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.52% | 92.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.38% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.99% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.78% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.34% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.36% | 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.
| Chaenomeles sinensis |
| PubChem | 24800368 |
| NPASS | NPC136369 |
| LOTUS | LTS0087285 |
| wikiData | Q77380921 |