2-[(2E,5E,7E,9S,10R,11E)-10-hydroxy-3,5,7,9,11,13-hexamethyltetradeca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
| Internal ID | 2a42360e-ef65-4345-8d75-cf7f3b17d027 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[(2E,5E,7E,9S,10R,11E)-10-hydroxy-3,5,7,9,11,13-hexamethyltetradeca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H43NO4/c1-17(2)13-21(6)25(30)22(7)16-20(5)15-19(4)14-18(3)11-12-24-23(8)26(31)27(32-9)28(29-24)33-10/h11,13,15-17,22,25,30H,12,14H2,1-10H3,(H,29,31)/b18-11+,19-15+,20-16+,21-13+/t22-,25-/m0/s1 |
| InChI Key | HHIVGCNSDLOJQI-AZXLJOFCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H43NO4 |
| Molecular Weight | 457.60 g/mol |
| Exact Mass | 457.31920885 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 2-[(2E,5E,7E,9S,10R,11E)-10-hydroxy-3,5,7,9,11,13-hexamethyltetradeca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/bd5abde0-863c-11ee-9b26-6fca6e20456d.jpg "2D Structure of 2-[(2E,5E,7E,9S,10R,11E)-10-hydroxy-3,5,7,9,11,13-hexamethyltetradeca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.52% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.69% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.17% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.84% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.41% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.80% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.21% | 94.73% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.94% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.49% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.94% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.78% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.26% | 90.20% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.77% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.62% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.49% | 95.50% |
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 | 163193103 |
| LOTUS | LTS0055893 |
| wikiData | Q105028310 |