2-[[5-(4-Hydroxyoctadecoxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-6-pentoxycyclohexa-2,5-diene-1,4-dione
| Internal ID | 31c2ca70-cf42-4210-a4b1-9c80f760f8d9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 2-[[5-(4-hydroxyoctadecoxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-6-pentoxycyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(CCCOC1=CC(=O)C=C(C1=O)CC2=CC(=O)C=C(C2=O)OCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(CCCOC1=CC(=O)C=C(C1=O)CC2=CC(=O)C=C(C2=O)OCCCCC)O |
| InChI | InChI=1S/C36H54O7/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30(37)20-18-22-43-34-27-32(39)25-29(36(34)41)23-28-24-31(38)26-33(35(28)40)42-21-17-6-4-2/h24-27,30,37H,3-23H2,1-2H3 |
| InChI Key | LANXOGXUPZKSRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H54O7 |
| Molecular Weight | 598.80 g/mol |
| Exact Mass | 598.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 2-[[5-(4-Hydroxyoctadecoxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-6-pentoxycyclohexa-2,5-diene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/115823c0-86c1-11ee-9b81-451655d42fa3.jpg "2D Structure of 2-[[5-(4-Hydroxyoctadecoxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-6-pentoxycyclohexa-2,5-diene-1,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.36% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.26% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.71% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.73% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.20% | 92.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.13% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.89% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.16% | 92.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.81% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.63% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.32% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.80% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.43% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.25% | 92.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.21% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.95% | 89.63% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.46% | 94.33% |
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.
| Embelia ribes |
| PubChem | 11180932 |
| LOTUS | LTS0083705 |
| wikiData | Q105148792 |