4-[5-(3-Hydroxypropyl)-1-benzofuran-2-yl]-5-methoxybenzene-1,3-diol
| Internal ID | d5f411b9-699f-438d-be51-7a402376c6c7 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[5-(3-hydroxypropyl)-1-benzofuran-2-yl]-5-methoxybenzene-1,3-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1C2=CC3=C(O2)C=CC(=C3)CCCO)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1C2=CC3=C(O2)C=CC(=C3)CCCO)O)O |
| InChI | InChI=1S/C18H18O5/c1-22-16-10-13(20)9-14(21)18(16)17-8-12-7-11(3-2-6-19)4-5-15(12)23-17/h4-5,7-10,19-21H,2-3,6H2,1H3 |
| InChI Key | RBFCXJAUYQJDNG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 4-[5-(3-Hydroxypropyl)-1-benzofuran-2-yl]-5-methoxybenzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-5-3-hydroxypropyl-1-benzofuran-2-yl-5-methoxybenzene-13-diol.jpg "2D Structure of 4-[5-(3-Hydroxypropyl)-1-benzofuran-2-yl]-5-methoxybenzene-1,3-diol")
| 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 | 97.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.79% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.15% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.50% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.11% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.61% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.60% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 85.01% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.39% | 90.24% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.06% | 94.03% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.82% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.72% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.87% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.40% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.24% | 98.75% |
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.
| Krameria erecta |
| PubChem | 85704945 |
| LOTUS | LTS0221650 |
| wikiData | Q105233086 |