Geranylgeranyl octadecanoate
| Internal ID | 6c3eecaf-5558-4a2f-9fc4-b9d7d864758f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] octadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H68O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h25,27,29,32H,7-24,26,28,30-31,33H2,1-6H3/b35-27+,36-29+,37-32+ |
| InChI Key | PKPQRPBOVUDOLF-JJKPFOCASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C38H68O2 |
| Molecular Weight | 556.90 g/mol |
| Exact Mass | 556.52193141 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 15.60 |
| geranyl-geranyl stearate |
| geranylgeranyl octadecanoate |
| SCHEMBL3852988 |
| SCHEMBL8623272 |
| PKPQRPBOVUDOLF-JJKPFOCASA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 99.68% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.85% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.63% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.81% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.66% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.64% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.20% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.20% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.61% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.34% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.12% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.05% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.75% | 91.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.56% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.37% | 91.19% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.15% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.52% | 92.50% |
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.
| Bixa orellana |
| PubChem | 14413715 |
| LOTUS | LTS0200220 |
| wikiData | Q105210544 |