(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)methyl 6-oxooctadecanoate
| Internal ID | f2b827a9-7f61-411e-a43e-7c691a91878c |
| 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 6-oxooctadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H56O4/c1-6-7-8-9-10-11-12-13-14-15-19-27(34)20-16-17-21-30(36)37-25-28-26(2)24-29(35)31-32(3,4)22-18-23-33(28,31)5/h24,28,31H,6-23,25H2,1-5H3 |
| InChI Key | WZLWEBPGRBLUIB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H56O4 |
| Molecular Weight | 516.80 g/mol |
| Exact Mass | 516.41786026 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 9.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.98% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.64% | 89.63% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.60% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.45% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.45% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.09% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.16% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.82% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.60% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.55% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.16% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.56% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.25% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.27% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.27% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.45% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.23% | 92.86% |
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 | 139585196 |
| LOTUS | LTS0121371 |
| wikiData | Q104200772 |