[4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate
| Internal ID | 6c18ecc5-2c16-4ddb-b975-429005f636b7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H74O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-42(47)50-40-33-37(4)43(48)38(34-40)30-29-36(3)25-22-24-35(2)26-23-27-39(45)31-32-41(46)44(5,6)49/h24,27,29,33-34,41,45-46,48-49H,7-23,25-26,28,30-32H2,1-6H3/b35-24+,36-29+,39-27-/t41-/m1/s1 |
| InChI Key | MPODBWZKCKXSQW-RPTYCENZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H74O6 |
| Molecular Weight | 699.10 g/mol |
| Exact Mass | 698.54854008 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 14.10 |
| There are no found synonyms. |
![2D Structure of [4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a642c3e0-8784-11ee-961f-cd2d0179f5b2.jpg "2D Structure of [4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate")
| 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 | 99.37% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.16% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.00% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 95.43% | 92.68% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.44% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.90% | 93.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.57% | 93.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.17% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.44% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.25% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.91% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.83% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.43% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.34% | 97.21% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.11% | 94.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.26% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.69% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 163185456 |
| LOTUS | LTS0060209 |
| wikiData | Q105169642 |