(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)methyl octadecanoate
| Internal ID | 1f58f2f0-382a-4cde-9d70-b182c023a884 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)methyl octadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30(35)36-26-28-27(2)25-29(34)31-32(3,4)23-21-24-33(28,31)5/h25,28,31H,6-24,26H2,1-5H3 |
| InChI Key | ACHVSQNTGQQHAA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H58O3 |
| Molecular Weight | 502.80 g/mol |
| Exact Mass | 502.43859571 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 11.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.52% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.69% | 92.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.91% | 96.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.45% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.22% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.97% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.17% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.16% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.31% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.22% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.16% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.59% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.25% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.77% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.81% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.76% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.45% | 91.81% |
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.
| There are no matching plants. |
| PubChem | 139588394 |
| LOTUS | LTS0239259 |
| wikiData | Q103815988 |