[(3R,7S,10R,11R)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate
| Internal ID | c7957b4d-4e96-4352-9205-4f622b92d55c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(3R,7S,10R,11R)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate |
| SMILES (Canonical) | CCCCCC(C)C(CCC(C)CCCC(C)CCOC(=O)C1=CC=CC=C1)O |
| SMILES (Isomeric) | CCCCC[C@@H](C)[C@@H](CC[C@@H](C)CCC[C@@H](C)CCOC(=O)C1=CC=CC=C1)O |
| InChI | InChI=1S/C26H44O3/c1-5-6-8-14-23(4)25(27)18-17-21(2)12-11-13-22(3)19-20-29-26(28)24-15-9-7-10-16-24/h7,9-10,15-16,21-23,25,27H,5-6,8,11-14,17-20H2,1-4H3/t21-,22+,23+,25+/m0/s1 |
| InChI Key | KWMDECCDBHDQSM-XJTUCQONSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O3 |
| Molecular Weight | 404.60 g/mol |
| Exact Mass | 404.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of [(3R,7S,10R,11R)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/3r7s10r11r-10-hydroxy-3711-trimethylhexadecyl-benzoate.jpg "2D Structure of [(3R,7S,10R,11R)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate")
| 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 | 98.17% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.29% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.83% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.58% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.23% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.99% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.52% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.75% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.25% | 87.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.84% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.84% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.41% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.82% | 93.04% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.94% | 94.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.33% | 100.00% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 81.27% | 98.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.96% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.67% | 92.08% |
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.
| Oryza sativa |
| PubChem | 162845959 |
| LOTUS | LTS0187759 |
| wikiData | Q105147020 |