4-[(1R,2S)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxypropyl]-2,6-dimethoxyphenol
| Internal ID | 769b673e-8a3c-478d-b80a-c199ecaff509 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(1R,2S)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxypropyl]-2,6-dimethoxyphenol |
| SMILES (Canonical) | CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)O)OC)O)OC |
| SMILES (Isomeric) | C/C=C/C1=CC(=C(C(=C1)OC)O[C@@H](C)[C@@H](C2=CC(=C(C(=C2)OC)O)OC)O)OC |
| InChI | InChI=1S/C22H28O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7-13,20,23-24H,1-6H3/b8-7+/t13-,20-/m0/s1 |
| InChI Key | XLISRJBFLZABKA-OCIFBBHSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 4-[(1R,2S)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxypropyl]-2,6-dimethoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1r2s-2-26-dimethoxy-4-e-prop-1-enylphenoxy-1-hydroxypropyl-26-dimethoxyphenol.jpg "2D Structure of 4-[(1R,2S)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxypropyl]-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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.61% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.73% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.99% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.75% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.52% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.00% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.89% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.67% | 90.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.64% | 94.08% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.23% | 92.68% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.71% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.68% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.66% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.93% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.75% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.27% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 80.30% | 90.71% |
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.
| Virola surinamensis |
| PubChem | 163193538 |
| LOTUS | LTS0133227 |
| wikiData | Q105330013 |