3-(Hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
| Internal ID | fdae2cd3-4dc7-4bd9-811b-8b74e3b9d056 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C(=O)O)CO)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C(=O)O)CO)O |
| InChI | InChI=1S/C16H14O5/c17-8-13-12-7-10(16(19)20)3-6-14(12)21-15(13)9-1-4-11(18)5-2-9/h1-7,13,15,17-18H,8H2,(H,19,20) |
| InChI Key | ACJPWQXRDQNVEB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 | 92.07% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 91.92% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.60% | 99.17% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.18% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.46% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.76% | 89.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.59% | 96.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.57% | 87.67% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 82.45% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.27% | 98.95% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 81.18% | 99.09% |
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.
| Selaginella moellendorffii |
| PubChem | 162870078 |
| LOTUS | LTS0124699 |
| wikiData | Q104909134 |