[3-[(2E,6E,10E,14R)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-5-methylphenyl] octadecanoate
| Internal ID | 60aad6d5-a3d2-4ba4-9157-c54bbe26933e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [3-[(2E,6E,10E,14R)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-5-methylphenyl] octadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=C(C(=C1)C)O)CC=C(C)CCC=C(C)CCC=C(C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=C(C(=C1)C)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC[C@H](C(C)(C)O)O |
| InChI | InChI=1S/C45H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-43(47)50-41-34-39(5)44(48)40(35-41)32-30-37(3)27-23-25-36(2)26-24-28-38(4)31-33-42(46)45(6,7)49/h25,28,30,34-35,42,46,48-49H,8-24,26-27,29,31-33H2,1-7H3/b36-25+,37-30+,38-28+/t42-/m1/s1 |
| InChI Key | YVTWMXKCUAEHMK-GYXVHOMZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C45H76O5 |
| Molecular Weight | 697.10 g/mol |
| Exact Mass | 696.56927552 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 15.30 |
| There are no found synonyms. |
![2D Structure of [3-[(2E,6E,10E,14R)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-5-methylphenyl] octadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2fde3bb0-86d6-11ee-9b7f-11d07da7be10.jpg "2D Structure of [3-[(2E,6E,10E,14R)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-5-methylphenyl] 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 | 99.21% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.00% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 96.54% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.50% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.29% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.51% | 96.09% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.53% | 93.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.38% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.20% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.96% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.83% | 97.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.83% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.45% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.25% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.85% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.75% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.64% | 96.90% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.74% | 93.65% |
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 | 11585652 |
| LOTUS | LTS0219566 |
| wikiData | Q105365971 |