[(6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate
| Internal ID | 948c229c-5cb6-4ff0-b773-1737912313b0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(CC=C(C)CCOC(=O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC[C@@H](CC=C(C)CCOC(=O)C)O |
| InChI | InChI=1S/C24H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)19-18-22(2)20-21-27-23(3)25/h18,24,26H,4-17,19-21H2,1-3H3/t24-/m0/s1 |
| InChI Key | RFJLJZSZPKLRHG-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H46O3 |
| Molecular Weight | 382.60 g/mol |
| Exact Mass | 382.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of [(6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6s-6-hydroxy-3-methylhenicos-3-enyl-acetate.jpg "2D Structure of [(6S)-6-hydroxy-3-methylhenicos-3-enyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.65% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.09% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 91.92% | 89.76% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.35% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.25% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.74% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.25% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.74% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.16% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.57% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.58% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.97% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.78% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.57% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.10% | 91.81% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.47% | 97.21% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.97% | 93.31% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.77% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.67% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.46% | 91.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| Stellaria media |
| PubChem | 162998769 |
| LOTUS | LTS0085441 |
| wikiData | Q105235441 |