7-[(2R)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one
| Internal ID | 167b07bf-b13d-4cf6-9706-3cf27e26e65d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(2R)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one |
| SMILES (Canonical) | CC(C)(C(COC1=CC2=C(C=C1)C=CC(=O)O2)O)O |
| SMILES (Isomeric) | CC(C)([C@@H](COC1=CC2=C(C=C1)C=CC(=O)O2)O)O |
| InChI | InChI=1S/C14H16O5/c1-14(2,17)12(15)8-18-10-5-3-9-4-6-13(16)19-11(9)7-10/h3-7,12,15,17H,8H2,1-2H3/t12-/m1/s1 |
| InChI Key | GHSFVCDUBWHKCG-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O5 |
| Molecular Weight | 264.27 g/mol |
| Exact Mass | 264.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 7-[(2R)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2r-23-dihydroxy-3-methylbutoxychromen-2-one.jpg "2D Structure of 7-[(2R)-2,3-dihydroxy-3-methylbutoxy]chromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.89% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.81% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.54% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.74% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.13% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.65% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.63% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.20% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.36% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.40% | 86.92% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.21% | 95.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.49% | 91.49% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.46% | 93.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.17% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.48% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.01% | 99.15% |
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.
| Coleonema album |
| PubChem | 163085152 |
| LOTUS | LTS0179476 |
| wikiData | Q105008702 |