11-(3,5-Dihydroxyphenyl)undecan-4-yl 2-(8-acetyloxyundecyl)-4,6-dihydroxybenzoate
| Internal ID | 46df7160-b8a0-4109-91f9-5cc25f394c81 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | 11-(3,5-dihydroxyphenyl)undecan-4-yl 2-(8-acetyloxyundecyl)-4,6-dihydroxybenzoate |
| SMILES (Canonical) | CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)OC(=O)C |
| SMILES (Isomeric) | CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)OC(=O)C |
| InChI | InChI=1S/C37H56O8/c1-4-16-33(44-27(3)38)20-14-11-7-9-13-19-29-24-32(41)26-35(42)36(29)37(43)45-34(17-5-2)21-15-10-6-8-12-18-28-22-30(39)25-31(40)23-28/h22-26,33-34,39-42H,4-21H2,1-3H3 |
| InChI Key | LCCCZIASPPCLCU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C37H56O8 |
| Molecular Weight | 628.80 g/mol |
| Exact Mass | 628.39751874 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 11.40 |
| 11-(3,5-dihydroxyphenyl)undecan-4-yl 2-(8-acetyloxyundecyl)-4,6-dihydroxybenzoate |
| 224186-03-2 |
| Benzoic acid, 2-[8-(acetyloxy)undecyl]-4,6-dihydroxy-, 8-(3,5-dihydroxyphenyl)-1-propyloctyl ester |
| J-014703 |
| [8-(3,5-dihydroxyphenyl)-1-propyl-octyl] 2-(8-acetoxyundecyl)-4,6-dihydroxy-benzoate |
| 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 | 98.81% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.67% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.02% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.54% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.92% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.38% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.79% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.64% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.75% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.88% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.60% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.47% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.38% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.20% | 100.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.52% | 96.12% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.08% | 92.08% |
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.
| Laguncularia racemosa |
| PubChem | 486005 |
| LOTUS | LTS0110371 |
| wikiData | Q77504385 |