3-hydroxy-7-[(3S)-4-hydroxy-3-methylbutoxy]chromen-2-one
| Internal ID | b691cf0b-e0b0-4ab5-b121-c67e41d10cdb |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins |
| IUPAC Name | 3-hydroxy-7-[(3S)-4-hydroxy-3-methylbutoxy]chromen-2-one |
| SMILES (Canonical) | CC(CCOC1=CC2=C(C=C1)C=C(C(=O)O2)O)CO |
| SMILES (Isomeric) | C[C@@H](CCOC1=CC2=C(C=C1)C=C(C(=O)O2)O)CO |
| InChI | InChI=1S/C14H16O5/c1-9(8-15)4-5-18-11-3-2-10-6-12(16)14(17)19-13(10)7-11/h2-3,6-7,9,15-16H,4-5,8H2,1H3/t9-/m0/s1 |
| InChI Key | XHHUXEDXFLQJSB-VIFPVBQESA-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 | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-hydroxy-7-[(3S)-4-hydroxy-3-methylbutoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-7-3s-4-hydroxy-3-methylbutoxychromen-2-one.jpg "2D Structure of 3-hydroxy-7-[(3S)-4-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.79% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.87% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.66% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.64% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.49% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.76% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.33% | 92.51% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.78% | 90.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.91% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.68% | 93.65% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.55% | 89.67% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.51% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.26% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.98% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.95% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.74% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.56% | 96.67% |
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.
| There are no matching plants. |
| PubChem | 162998895 |
| LOTUS | LTS0126162 |
| wikiData | Q105328110 |