(3R,4R,6R,7E,10R,11E)-4,6,10-triethyl-3,6-dihydroxy-8-methyltetradeca-7,11-dienoic acid
| Internal ID | da7fb5bc-14ae-4e43-997a-2a3ac4fd2d5e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (3R,4R,6R,7E,10R,11E)-4,6,10-triethyl-3,6-dihydroxy-8-methyltetradeca-7,11-dienoic acid |
| SMILES (Canonical) | CCC=CC(CC)CC(=CC(CC)(CC(CC)C(CC(=O)O)O)O)C |
| SMILES (Isomeric) | CC/C=C/[C@H](CC)C/C(=C/[C@@](CC)(C[C@@H](CC)[C@@H](CC(=O)O)O)O)/C |
| InChI | InChI=1S/C21H38O4/c1-6-10-11-17(7-2)12-16(5)14-21(25,9-4)15-18(8-3)19(22)13-20(23)24/h10-11,14,17-19,22,25H,6-9,12-13,15H2,1-5H3,(H,23,24)/b11-10+,16-14+/t17-,18+,19+,21-/m0/s1 |
| InChI Key | VSFCXUJTWJIBPN-KBYMKNFISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H38O4 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.88% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.68% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.04% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.43% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.90% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.01% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.02% | 100.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.86% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.65% | 89.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.35% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.18% | 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.
| There are no matching plants. |
| PubChem | 162946810 |
| LOTUS | LTS0124317 |
| wikiData | Q105292169 |