(3R,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-2,6-dimethylocta-1,6-dien-3-ol
| Internal ID | 34e6440a-aa25-48e2-a6d6-b400b66e8a7f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamyl alcohols |
| IUPAC Name | (3R,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-2,6-dimethylocta-1,6-dien-3-ol |
| SMILES (Canonical) | CC(=C)C(CCC(=CCOC1=C(C=C(C=C1)C=CCO)OC)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)O |
| InChI | InChI=1S/C20H28O4/c1-15(2)18(22)9-7-16(3)11-13-24-19-10-8-17(6-5-12-21)14-20(19)23-4/h5-6,8,10-11,14,18,21-22H,1,7,9,12-13H2,2-4H3/b6-5+,16-11+/t18-/m1/s1 |
| InChI Key | XMDGEFGKRKNIPO-GAVLFFHDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (3R,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-2,6-dimethylocta-1,6-dien-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3r6e-8-4-e-3-hydroxyprop-1-enyl-2-methoxyphenoxy-26-dimethylocta-16-dien-3-ol.jpg "2D Structure of (3R,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-2,6-dimethylocta-1,6-dien-3-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.42% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.12% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.57% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.52% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.06% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.09% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.23% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.21% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.24% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.72% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.29% | 89.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.23% | 92.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.09% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.94% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.46% | 90.20% |
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 duciformis |
| PubChem | 163193459 |
| LOTUS | LTS0156338 |
| wikiData | Q105330661 |