3-(3-Hydroxy-4,5-dimethoxyphenyl)propyl 3-hydroxy-11-methylheptadecanoate
| Internal ID | 45420306-e754-4a85-83f0-eab5aa42be7d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-(3-hydroxy-4,5-dimethoxyphenyl)propyl 3-hydroxy-11-methylheptadecanoate |
| SMILES (Canonical) | CCCCCCC(C)CCCCCCCC(CC(=O)OCCCC1=CC(=C(C(=C1)OC)OC)O)O |
| SMILES (Isomeric) | CCCCCCC(C)CCCCCCCC(CC(=O)OCCCC1=CC(=C(C(=C1)OC)OC)O)O |
| InChI | InChI=1S/C29H50O6/c1-5-6-7-11-15-23(2)16-12-9-8-10-13-18-25(30)22-28(32)35-19-14-17-24-20-26(31)29(34-4)27(21-24)33-3/h20-21,23,25,30-31H,5-19,22H2,1-4H3 |
| InChI Key | YVAXZNKKSLAKDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O6 |
| Molecular Weight | 494.70 g/mol |
| Exact Mass | 494.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 8.80 |
| YVAXZNKKSLAKDG-UHFFFAOYSA-N |
| 3-(3-Hydroxy-4,5-dimethoxyphenyl)propyl 3-hydroxy-11-methylheptadecanoate |
| Heptadecanoic acid, 3-hydroxy-11-methyl-, 3-(3-hydroxy-4,5-dimethoxyphenyl)propyl ester |
| 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 | 98.94% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.36% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.37% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.47% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.13% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.01% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.45% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.59% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.76% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.57% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.07% | 98.75% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.59% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.36% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.34% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.27% | 92.98% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.96% | 97.25% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.14% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.51% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.21% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.51% | 87.45% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.41% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.27% | 93.18% |
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.
| Schkuhria schkuhrioides |
| PubChem | 14488482 |
| LOTUS | LTS0086306 |
| wikiData | Q105365130 |