4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-methoxy-1-benzofuran-3-carbaldehyde
| Internal ID | 9eca18de-c5e9-45c5-986b-cde462c5f18e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-methoxy-1-benzofuran-3-carbaldehyde |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=C2C(=C1O)C(=C(O2)C3=C(C=C(C=C3)O)OC)C=O)OC)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C=C2C(=C1O)C(=C(O2)C3=C(C=C(C=C3)O)OC)C=O)OC)O |
| InChI | InChI=1S/C22H22O7/c1-11(2)16(25)8-14-18(28-4)9-19-20(21(14)26)15(10-23)22(29-19)13-6-5-12(24)7-17(13)27-3/h5-7,9-10,16,24-26H,1,8H2,2-4H3/t16-/m1/s1 |
| InChI Key | HOTHYRHJRPLTJS-MRXNPFEDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-methoxy-1-benzofuran-3-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/eb5b8ff0-85a1-11ee-bd0a-7b88c71fe9ef.jpg "2D Structure of 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-methoxy-1-benzofuran-3-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.01% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.87% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.79% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.30% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.30% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.15% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.65% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.64% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.29% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.85% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.46% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.62% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.56% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.38% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.55% | 89.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.33% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.77% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.04% | 85.14% |
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.
| Onobrychis ebenoides |
| PubChem | 162914185 |
| LOTUS | LTS0132402 |
| wikiData | Q105031529 |