4-[(E)-3-[(2R,3S,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-1-enyl]phenol
| Internal ID | ba015481-a2f8-48f7-97d3-9364c56af902 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[(E)-3-[(2R,3S,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-1-enyl]phenol |
| SMILES (Canonical) | C1C(COC(C1CC=CC2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(C4=CC=C(C=C4)O)O |
| SMILES (Isomeric) | C1[C@H](CO[C@H]([C@H]1C/C=C/C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[C@H](C4=CC=C(C=C4)O)O |
| InChI | InChI=1S/C27H28O5/c28-23-10-4-18(5-11-23)2-1-3-21-16-22(26(31)19-6-12-24(29)13-7-19)17-32-27(21)20-8-14-25(30)15-9-20/h1-2,4-15,21-22,26-31H,3,16-17H2/b2-1+/t21-,22+,26-,27-/m0/s1 |
| InChI Key | JFEPBHGKNWISIN-QAVLBLFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28O5 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-3-[(2R,3S,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-1-enyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/50ce9ed0-8642-11ee-80a6-fb229303e73e.jpg "2D Structure of 4-[(E)-3-[(2R,3S,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.40% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.30% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.11% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.14% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.36% | 91.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.88% | 97.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.85% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.83% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.83% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.20% | 89.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.48% | 89.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.20% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.45% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.02% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.50% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.35% | 99.17% |
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 galanga |
| PubChem | 162913121 |
| LOTUS | LTS0202685 |
| wikiData | Q105126651 |