4-[5-[(2R)-2-hydroxypropyl]-3-methyl-1-benzofuran-2-yl]phenol
| Internal ID | d5403eef-bdf7-4560-b8af-d0cd645eecba |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[5-[(2R)-2-hydroxypropyl]-3-methyl-1-benzofuran-2-yl]phenol |
| SMILES (Canonical) | CC1=C(OC2=C1C=C(C=C2)CC(C)O)C3=CC=C(C=C3)O |
| SMILES (Isomeric) | CC1=C(OC2=C1C=C(C=C2)C[C@@H](C)O)C3=CC=C(C=C3)O |
| InChI | InChI=1S/C18H18O3/c1-11(19)9-13-3-8-17-16(10-13)12(2)18(21-17)14-4-6-15(20)7-5-14/h3-8,10-11,19-20H,9H2,1-2H3/t11-/m1/s1 |
| InChI Key | NWDOIMZCKBRADD-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.30 g/mol |
| Exact Mass | 282.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 53.60 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-[5-[(2R)-2-hydroxypropyl]-3-methyl-1-benzofuran-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-5-2r-2-hydroxypropyl-3-methyl-1-benzofuran-2-ylphenol.jpg "2D Structure of 4-[5-[(2R)-2-hydroxypropyl]-3-methyl-1-benzofuran-2-yl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.33% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.94% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.02% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 91.34% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.17% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.82% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.83% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.55% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.00% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.55% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.37% | 93.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.96% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.90% | 91.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.95% | 93.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.44% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.71% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.65% | 95.89% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 82.60% | 92.22% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.59% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.19% | 86.33% |
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 bicolor |
| Krameria lanceolata |
| Krameria paucifolia |
| PubChem | 163035457 |
| LOTUS | LTS0135923 |
| wikiData | Q105186545 |