2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
| Internal ID | f2579fef-cfc7-447e-aa48-1b0604f98ac2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)C2=C(C=C(C=C2OC)C(C3CO3)O)OC)C=CCO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)C2=C(C=C(C=C2OC)[C@H]([C@@H]3CO3)O)OC)/C=C/CO |
| InChI | InChI=1S/C21H24O7/c1-25-15-9-13(20(23)18-11-28-18)10-16(26-2)19(15)14-7-12(5-4-6-22)8-17(27-3)21(14)24/h4-5,7-10,18,20,22-24H,6,11H2,1-3H3/b5-4+/t18-,20+/m0/s1 |
| InChI Key | RVUMFJDIVFCDEA-LJGXYGFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/89c282a0-8678-11ee-892b-0f419b390f7b.jpg "2D Structure of 2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol")
| 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 | 99.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.52% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.98% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.97% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.96% | 92.68% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.87% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.61% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.36% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.83% | 93.31% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.05% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.73% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.30% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.98% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.54% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.40% | 94.45% |
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.
| Eurycoma longifolia |
| PubChem | 163041299 |
| LOTUS | LTS0216560 |
| wikiData | Q105246325 |