(1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid
| Internal ID | d94fe793-c9a6-4682-9e5b-07cf640eca50 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 7-hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxochromene-5-carboxylic acid |
| SMILES (Canonical) | CC(=O)CC(C1=COC2=CC(=CC(=C2C1=O)C(=O)O)O)O |
| SMILES (Isomeric) | CC(=O)C[C@@H](C1=COC2=CC(=CC(=C2C1=O)C(=O)O)O)O |
| InChI | InChI=1S/C14H12O7/c1-6(15)2-10(17)9-5-21-11-4-7(16)3-8(14(19)20)12(11)13(9)18/h3-5,10,16-17H,2H2,1H3,(H,19,20)/t10-/m0/s1 |
| InChI Key | PEKVXUBDORIMOH-JTQLQIEISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H12O7 |
| Molecular Weight | 292.24 g/mol |
| Exact Mass | 292.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 0.10 |
| DTXSID001038866 |
| (1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid |
| 7-Hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromene-5-carboxylic acid |
| 1450894-52-6 |
| 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 | 98.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.47% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.59% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.88% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.44% | 94.42% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.47% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.26% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.06% | 99.17% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 82.18% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.90% | 90.71% |
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 | 73352244 |
| LOTUS | LTS0171494 |
| wikiData | Q77506148 |