3-(3,4-dihydroxy-5-methoxyphenyl)propyl (3S,11S)-3-hydroxy-11-methyloctadecanoate
| Internal ID | c6b13797-27a9-45bb-a816-2e4e21c8b69d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-(3,4-dihydroxy-5-methoxyphenyl)propyl (3S,11S)-3-hydroxy-11-methyloctadecanoate |
| SMILES (Canonical) | CCCCCCCC(C)CCCCCCCC(CC(=O)OCCCC1=CC(=C(C(=C1)OC)O)O)O |
| SMILES (Isomeric) | CCCCCCC[C@H](C)CCCCCCC[C@@H](CC(=O)OCCCC1=CC(=C(C(=C1)OC)O)O)O |
| InChI | InChI=1S/C29H50O6/c1-4-5-6-8-11-15-23(2)16-12-9-7-10-13-18-25(30)22-28(32)35-19-14-17-24-20-26(31)29(33)27(21-24)34-3/h20-21,23,25,30-31,33H,4-19,22H2,1-3H3/t23-,25-/m0/s1 |
| InChI Key | RVUOLUXECYIMSX-ZCYQVOJMSA-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) | 96.20 Ų |
| XlogP | 9.00 |
| 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 | 99.01% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.98% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.55% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.20% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.22% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.29% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.99% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.25% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.90% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.86% | 95.89% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.98% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.85% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.93% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.61% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.32% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.88% | 97.21% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.80% | 93.18% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.03% | 98.75% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.84% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.77% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.25% | 90.20% |
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.
| Lasiolaena morii |
| PubChem | 163034304 |
| LOTUS | LTS0274701 |
| wikiData | Q105246330 |