(2S,4Z)-2-[(1E,3S,4S,6Z,9Z)-4-hydroxy-3-methoxydodeca-1,6,9-trienyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
| Internal ID | ecfb3bab-223e-454f-a9c2-7c526385ca85 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (2S,4Z)-2-[(1E,3S,4S,6Z,9Z)-4-hydroxy-3-methoxydodeca-1,6,9-trienyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one |
| SMILES (Canonical) | CCC=CCC=CCC(C(C=CC1CC=CCCCC(=O)O1)OC)O |
| SMILES (Isomeric) | CC/C=C\C/C=C\C[C@@H]([C@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC)O |
| InChI | InChI=1S/C21H32O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h4-5,7-8,10-11,16-20,22H,3,6,9,12-15H2,1-2H3/b5-4-,10-8-,11-7-,17-16+/t18-,19-,20-/m0/s1 |
| InChI Key | QXHLHGKKWDCOOY-DCQCSHFVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (2S,4Z)-2-[(1E,3S,4S,6Z,9Z)-4-hydroxy-3-methoxydodeca-1,6,9-trienyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/2cf083b0-8529-11ee-8d50-ef95f98b94b0.jpg "2D Structure of (2S,4Z)-2-[(1E,3S,4S,6Z,9Z)-4-hydroxy-3-methoxydodeca-1,6,9-trienyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one")
| 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 | 96.29% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.57% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.23% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.55% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.75% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.99% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.80% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.63% | 98.75% |
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 | 162900983 |
| LOTUS | LTS0131898 |
| wikiData | Q105229613 |