7-(9-Hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl)-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
| Internal ID | 8a9a8663-ac7c-4e32-a507-dbb718c2e09d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 7-(9-hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl)-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O4/c1-9-17(3)19(26)18(4)15-16(2)13-11-10-12-14-24(7)21-23(5,6)20(27)25(24,8)22(28)29-21/h9-15,19,21,26H,1-8H3 |
| InChI Key | PSEQDKOEUKPHCZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O4 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 7-(9-Hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl)-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3d8140a0-872e-11ee-ae14-c320a580ab44.jpg "2D Structure of 7-(9-Hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl)-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.02% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.28% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.43% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.07% | 80.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.58% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.51% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.65% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.52% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.67% | 89.00% |
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 | 162814808 |
| LOTUS | LTS0130503 |
| wikiData | Q104195345 |