4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol
| Internal ID | 89b2df7b-e5c8-4433-96fc-d01adea8e42a |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)CCCO)CO)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)CCCO)CO)O |
| InChI | InChI=1S/C18H20O4/c19-9-1-2-12-3-8-17-15(10-12)16(11-20)18(22-17)13-4-6-14(21)7-5-13/h3-8,10,16,18-21H,1-2,9,11H2 |
| InChI Key | CHTIIECQJLRFQJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-hydroxymethyl-5-3-hydroxypropyl-23-dihydro-1-benzofuran-2-ylphenol.jpg "2D Structure of 4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.27% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.18% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.30% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.81% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.53% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.46% | 86.92% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.30% | 96.37% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.32% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.03% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.66% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.50% | 95.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.36% | 89.44% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.66% | 96.25% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.49% | 89.67% |
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.
| Broussonetia papyrifera |
| PubChem | 3776909 |
| LOTUS | LTS0244813 |
| wikiData | Q104959252 |