Collimonin C
| Internal ID | b7eed09a-7133-4120-bf26-b1de7fe2bc47 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (E,6S,7R)-6,7-dihydroxyhexadec-9-en-11,13,15-triynoic acid |
| SMILES (Canonical) | C#CC#CC#CC=CCC(C(CCCCC(=O)O)O)O |
| SMILES (Isomeric) | C#CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O |
| InChI | InChI=1S/C16H18O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h1,7-8,14-15,17-18H,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1 |
| InChI Key | GEOVOVPJHKMMKC-PEGRTIRESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.60 |
| (E,6S,7R)-6,7-dihydroxyhexadec-9-en-11,13,15-triynoic acid |
| RefChem:127507 |
| CHEBI:217064 |
| 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 | 94.60% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.26% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.63% | 83.82% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 90.12% | 97.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.76% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.80% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.28% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.26% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.86% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.18% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.68% | 96.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.56% | 92.26% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.04% | 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 | 139591152 |
| LOTUS | LTS0075290 |
| wikiData | Q105007266 |