[5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pentyl] icosanoate
| Internal ID | 6b1b1a5b-d8ac-4e54-9342-c2635627c6a8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | [5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pentyl] icosanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H74O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-38(42)43-32-29-36(33-41)28-31-40(5)35(3)27-30-39(4)34(2)24-23-25-37(39)40/h24,35-37,41H,6-23,25-33H2,1-5H3 |
| InChI Key | AQFLDHPVDJQWLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H74O3 |
| Molecular Weight | 603.00 g/mol |
| Exact Mass | 602.56379622 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
![2D Structure of [5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pentyl] icosanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-124a5-tetramethyl-234788a-hexahydronaphthalen-1-yl-3-hydroxymethylpentyl-icosanoate.jpg "2D Structure of [5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pentyl] icosanoate")
| 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 | 98.45% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.88% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.80% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.85% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.00% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.14% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.94% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.59% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.49% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.88% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.87% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.14% | 97.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.89% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.33% | 91.81% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.72% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.13% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.11% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.59% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.28% | 86.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.24% | 93.67% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.22% | 85.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.10% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.04% | 96.90% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.89% | 97.63% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.72% | 89.05% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.16% | 96.00% |
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.
| Symphyopappus reticulatus |
| PubChem | 163010315 |
| LOTUS | LTS0096462 |
| wikiData | Q104916824 |