(2-Hydroxy-3-octadeca-9,12,15-trienoyloxypropyl) octadeca-9,12,15-trienoate
Internal ID | 25742adf-901e-4816-8095-8e35769e7657 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
IUPAC Name | (2-hydroxy-3-octadeca-9,12,15-trienoyloxypropyl) octadeca-9,12,15-trienoate |
SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)O |
SMILES (Isomeric) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)O |
InChI | InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3 |
InChI Key | NSOPGAYUGBZWHL-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C39H64O5 |
Molecular Weight | 612.90 g/mol |
Exact Mass | 612.47537514 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 11.60 |
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 |
---|---|---|---|---|
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.83% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.08% | 97.29% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.82% | 90.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.58% | 96.00% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.15% | 97.21% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.94% | 96.95% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.70% | 89.63% |
CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 81.58% | 90.75% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.53% | 94.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.68% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.34% | 91.11% |
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.
Angelica sinensis |
PubChem | 78384988 |
LOTUS | LTS0163659 |
wikiData | Q105185176 |