(5-Hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) tetradecanoate
| Internal ID | c7767855-6e39-453f-afea-d06ea69c106d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) tetradecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=O)OC1C(=CC23C1(C4C(=CC(C2=O)C5C(C5(C)C)CC3C)COC(O4)(C)C)O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)OC1C(=CC23C1(C4C(=CC(C2=O)C5C(C5(C)C)CC3C)COC(O4)(C)C)O)C |
| InChI | InChI=1S/C37H58O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-32-24(2)22-36-25(3)20-28-30(34(28,4)5)27(31(36)39)21-26-23-41-35(6,7)43-33(26)37(32,36)40/h21-22,25,27-28,30,32-33,40H,8-20,23H2,1-7H3 |
| InChI Key | CCMOYXDORAMAMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H58O6 |
| Molecular Weight | 598.90 g/mol |
| Exact Mass | 598.42333957 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of (5-Hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) tetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9a6acc50-8541-11ee-b2a1-89fc88ebd157.jpg "2D Structure of (5-Hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) tetradecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 99.74% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.47% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.79% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.63% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.34% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.79% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.55% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.24% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.19% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.81% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.14% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.72% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.92% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.31% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.18% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.80% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.17% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.94% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.46% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.58% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.45% | 97.63% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.61% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.15% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.09% | 85.94% |
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.
| Euphorbia ebracteolata |
| PubChem | 163038211 |
| LOTUS | LTS0165980 |
| wikiData | Q104953499 |