2-methylpropyl (2S)-2-hydroxy-19-(4-hydroxyphenyl)nonadecanoate
| Internal ID | 49cbe9de-0e71-45d2-beb6-a356397622aa |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 2-methylpropyl (2S)-2-hydroxy-19-(4-hydroxyphenyl)nonadecanoate |
| SMILES (Canonical) | CC(C)COC(=O)C(CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)O |
| SMILES (Isomeric) | CC(C)COC(=O)[C@H](CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)O |
| InChI | InChI=1S/C29H50O4/c1-25(2)24-33-29(32)28(31)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-20-22-27(30)23-21-26/h20-23,25,28,30-31H,3-19,24H2,1-2H3/t28-/m0/s1 |
| InChI Key | ZJXPRPNQMHPANP-NDEPHWFRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O4 |
| Molecular Weight | 462.70 g/mol |
| Exact Mass | 462.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 10.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.31% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.04% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.02% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.61% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.28% | 85.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.65% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.92% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.90% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.38% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.21% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.84% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.45% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.34% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.34% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.89% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.71% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.37% | 93.56% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.83% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.70% | 95.50% |
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.
| Skimmia laureola |
| PubChem | 11662642 |
| LOTUS | LTS0076550 |
| wikiData | Q104888464 |