[(3Z,4S,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] hexadecanoate
| Internal ID | b67a3468-57e7-43e8-ad00-b9aea0cfdfee |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | [(3Z,4S,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H56O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35(38)39-27-26-33(28-40-31(5)36)34(41-32(6)37)25-24-30(4)22-20-21-29(2)3/h21,24,28,34H,7-19,23,25-27H2,1-6H3/b30-24+,33-28-/t34-/m0/s1 |
| InChI Key | RQPQXWZBYYJLQN-AYUAJUHMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H56O6 |
| Molecular Weight | 572.80 g/mol |
| Exact Mass | 572.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 11.60 |
| There are no found synonyms. |
![2D Structure of [(3Z,4S,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3z4s6e-4-acetyloxy-3-acetyloxymethylidene-711-dimethyldodeca-610-dien-8-ynyl-hexadecanoate.jpg "2D Structure of [(3Z,4S,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] hexadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.99% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.62% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.58% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.12% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.44% | 90.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.65% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.15% | 92.86% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.06% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.44% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.73% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.56% | 87.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.84% | 97.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.37% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.37% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.91% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.70% | 96.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.65% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.41% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.19% | 92.12% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.95% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.70% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.53% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.17% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.00% | 89.34% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.00% | 92.29% |
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 | 163048367 |
| LOTUS | LTS0025393 |
| wikiData | Q105243506 |