4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Internal ID | e572f84d-68b2-4825-a060-31d0a8e2ad93 |
Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
IUPAC Name | 4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid |
SMILES (Canonical) | CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(=CO2)C(=O)O)CC(=O)O)C=C)O)O)O)CCO |
SMILES (Isomeric) | CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(=CO2)C(=O)O)CC(=O)O)C=C)O)O)O)CCO |
InChI | InChI=1S/C26H38O13/c1-4-15-16(10-19(28)29)17(23(33)34)11-37-25(15)39-26-22(32)21(31)20(30)18(38-26)12-36-24(35)14(3)7-5-6-13(2)8-9-27/h4,7,11,13,15-16,18,20-22,25-27,30-32H,1,5-6,8-10,12H2,2-3H3,(H,28,29)(H,33,34) |
InChI Key | CBISEPGLGPECNR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H38O13 |
Molecular Weight | 558.60 g/mol |
Exact Mass | 558.23124126 g/mol |
Topological Polar Surface Area (TPSA) | 210.00 Ų |
XlogP | 0.20 |
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 | 96.64% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.17% | 91.49% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.34% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 92.02% | 98.95% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.51% | 93.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.30% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.41% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.75% | 89.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.46% | 96.47% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.77% | 90.71% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.55% | 89.34% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.45% | 94.08% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.07% | 83.57% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.02% | 94.62% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.52% | 93.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.74% | 94.45% |
CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 82.74% | 95.71% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.56% | 96.61% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.40% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.88% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.46% | 99.23% |
CHEMBL5028 | O14672 | ADAM10 | 80.15% | 97.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.13% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.01% | 90.17% |
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.
Olea europaea |
PubChem | 162880313 |
LOTUS | LTS0144396 |
wikiData | Q104952396 |