4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol
| Internal ID | e27ae78d-53cb-4eb0-80a5-653598d4a581 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)O)O |
| SMILES (Isomeric) | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)O)O |
| InChI | InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+ |
| InChI Key | SDWZWUUOXFFJSA-NSCUHMNNSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C17H14O3 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 53.60 Ų |
| XlogP | 4.30 |
| CHEBI:69250 |
| 2-(2,4-dihydroxyphenyl)-5-(e)-propenylbenzofuran |
| 109194-71-0 |
| 4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol |
| BDBM50391890 |
| 2-(2,4-Dihydroxyphenyl)-5- (E)-propenylbenzofuran |
| Q27137589 |
| 4-[5-[(E)-1-Propenyl]benzofuran-2-yl]-1,3-benzenediol |
| 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol |
![2D Structure of 4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/07/4-5-1e-prop-1-en-1-yl-1-benzofuran-2-ylbenzene-13-diol.jpg "2D Structure of 4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL5658 | O14684 | Prostaglandin E synthase |
7400 nM |
IC50 |
PMID: 21800856
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.83% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.83% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 93.34% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.82% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.27% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.17% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.36% | 90.24% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.03% | 91.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.28% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.22% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.93% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.34% | 90.71% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 81.35% | 88.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.29% | 96.00% |
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.
| Baliospermum solanifolium |
| Caiophora coronata |
| Hemsleya graciliflora |
| Krameria bicolor |
| Krameria erecta |
| Krameria lappacea |
| Nepeta erecta |
| Skimmia melanocarpa |
| PubChem | 10355545 |
| NPASS | NPC225884 |
| ChEMBL | CHEMBL2147420 |
| LOTUS | LTS0139374 |
| wikiData | Q27137589 |