4-[(E,4S,5S)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
| Internal ID | 31dc1eb2-ff13-4a30-a312-f9a473c50783 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzylethers |
| IUPAC Name | 4-[(E,4S,5S)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol |
| SMILES (Canonical) | COCC(CC=CC1=CC=C(C=C1)O)C(C2=CC=C(C=C2)O)OC |
| SMILES (Isomeric) | COC[C@H](C/C=C/C1=CC=C(C=C1)O)[C@@H](C2=CC=C(C=C2)O)OC |
| InChI | InChI=1S/C20H24O4/c1-23-14-17(5-3-4-15-6-10-18(21)11-7-15)20(24-2)16-8-12-19(22)13-9-16/h3-4,6-13,17,20-22H,5,14H2,1-2H3/b4-3+/t17-,20+/m0/s1 |
| InChI Key | PYPQUQKGAGXEHZ-BPNLWIQDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 4-[(E,4S,5S)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e4s5s-5-4-hydroxyphenyl-5-methoxy-4-methoxymethylpent-1-enylphenol.jpg "2D Structure of 4-[(E,4S,5S)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.25% | 98.35% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 95.57% | 91.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.45% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.72% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.31% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.58% | 89.62% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.36% | 89.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.88% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 84.32% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.20% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.15% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.42% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.14% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.49% | 95.93% |
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.
| Alpinia officinarum |
| PubChem | 101749126 |
| LOTUS | LTS0212286 |
| wikiData | Q105216698 |