4-[(2S,3R)-5-(3-hydroxyprop-1-enyl)-3-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
| Internal ID | dab367ee-1d00-4f9a-9eb1-2a36efcb3b8a |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[(2S,3R)-5-(3-hydroxyprop-1-enyl)-3-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol |
| SMILES (Canonical) | COC1C(OC2=C1C=C(C=C2)C=CCO)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CO[C@H]1[C@@H](OC2=C1C=C(C=C2)C=CCO)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C19H20O5/c1-22-17-11-13(6-7-15(17)21)18-19(23-2)14-10-12(4-3-9-20)5-8-16(14)24-18/h3-8,10-11,18-21H,9H2,1-2H3/t18-,19+/m0/s1 |
| InChI Key | QBSLELZDPSOGAN-RBUKOAKNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-[(2S,3R)-5-(3-hydroxyprop-1-enyl)-3-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s3r-5-3-hydroxyprop-1-enyl-3-methoxy-23-dihydro-1-benzofuran-2-yl-2-methoxyphenol.jpg "2D Structure of 4-[(2S,3R)-5-(3-hydroxyprop-1-enyl)-3-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-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 | 99.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.72% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.19% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.24% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.24% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.20% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.55% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.67% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.17% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.92% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.10% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.42% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.33% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.05% | 80.78% |
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.
| Centaurea hierapolitana |
| PubChem | 162870746 |
| LOTUS | LTS0188356 |
| wikiData | Q105217983 |