2-(4-Hydroxyphenyl)ethyl dotriacontanoate
| Internal ID | c40b91aa-f14c-47df-9fd3-b6e593a4662e |
| Taxonomy | Benzenoids > Phenols > Tyrosols and derivatives |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl dotriacontanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O |
| InChI | InChI=1S/C40H72O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-40(42)43-37-36-38-32-34-39(41)35-33-38/h32-35,41H,2-31,36-37H2,1H3 |
| InChI Key | GJCVNRCVKQQTSU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H72O3 |
| Molecular Weight | 601.00 g/mol |
| Exact Mass | 600.54814615 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 17.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.64% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.24% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.89% | 92.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.44% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.98% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.46% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.99% | 97.79% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.59% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.80% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.51% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.95% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.61% | 90.71% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.51% | 94.01% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.14% | 93.04% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.09% | 97.29% |
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.
| Stereospermum acuminatissimum |
| PubChem | 44156911 |
| LOTUS | LTS0195408 |
| wikiData | Q105009341 |