Methyl 5-(hydroxymethyl) furan-2-carboxylate
| Internal ID | df0082e6-0474-438e-828d-ec256239cf5e |
| Taxonomy | Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acid esters |
| IUPAC Name | methyl 5-(hydroxymethyl)furan-2-carboxylate |
| SMILES (Canonical) | COC(=O)C1=CC=C(O1)CO |
| SMILES (Isomeric) | COC(=O)C1=CC=C(O1)CO |
| InChI | InChI=1S/C7H8O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3,8H,4H2,1H3 |
| InChI Key | GCVVHNKBMLQFCY-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C7H8O4 |
| Molecular Weight | 156.14 g/mol |
| Exact Mass | 156.04225873 g/mol |
| Topological Polar Surface Area (TPSA) | 59.70 Ų |
| XlogP | 0.30 |
| methyl 5-(hydroxymethyl)-2-furoate |
| methyl 5-(hydroxymethyl)furan-2-carboxylate |
| 5-Hydroxymethyl-2-furoic acid methyl ester |
| SCHEMBL2031143 |
| DTXSID50508425 |
| GCVVHNKBMLQFCY-UHFFFAOYSA-N |
| MFCD06203650 |
| AKOS002433911 |
| AT17170 |
| SB61574 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 93.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.80% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.33% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.41% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.30% | 81.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.26% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.40% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.72% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.32% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.31% | 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.
| There are no matching plants. |
| PubChem | 12733589 |
| LOTUS | LTS0078128 |
| wikiData | Q72491378 |