4-[(E)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol
| Internal ID | 7f1fe80c-5531-4558-a1b5-b8c33c8a5bc9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 4-[(E)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol |
| SMILES (Canonical) | CC(=CCCC(=CCOC(C=CC1=CC(=C(C(=C1)OC)O)OC)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/COC(/C=C/C1=CC(=C(C(=C1)OC)O)OC)O)/C)C |
| InChI | InChI=1S/C21H30O5/c1-15(2)7-6-8-16(3)11-12-26-20(22)10-9-17-13-18(24-4)21(23)19(14-17)25-5/h7,9-11,13-14,20,22-23H,6,8,12H2,1-5H3/b10-9+,16-11+ |
| InChI Key | AHQLRPYTUDVLOO-AKYRVGECSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e-3-2e-37-dimethylocta-26-dienoxy-3-hydroxyprop-1-enyl-26-dimethoxyphenol.jpg "2D Structure of 4-[(E)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.41% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.15% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.16% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.82% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.60% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.47% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.20% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.02% | 92.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.41% | 93.10% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.63% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.60% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.97% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.90% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.22% | 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.
To see more specific details click the taxa you are interested in.
| Ligularia intermedia |
| Ligularia nelumbifolia |
| PubChem | 129716087 |
| LOTUS | LTS0134548 |
| wikiData | Q104912405 |