7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methoxychromen-2-one
| Internal ID | 8c638046-a6c2-4590-bf9e-4a6972b3c40d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CO |
| SMILES (Isomeric) | C/C(=C\COC1=C(C=C2C=CC(=O)OC2=C1)OC)/CO |
| InChI | InChI=1S/C15H16O5/c1-10(9-16)5-6-19-14-8-12-11(7-13(14)18-2)3-4-15(17)20-12/h3-5,7-8,16H,6,9H2,1-2H3/b10-5+ |
| InChI Key | XHBFZZFIFOBODD-BJMVGYQFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-e-4-hydroxy-3-methylbut-2-enoxy-6-methoxychromen-2-one.jpg "2D Structure of 7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methoxychromen-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 | 93.47% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.02% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.69% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.76% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.78% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.53% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.48% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.93% | 89.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.23% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.15% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.13% | 96.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.80% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.72% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.13% | 96.95% |
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.
| Pterocaulon polystachyum |
| PubChem | 12920848 |
| LOTUS | LTS0108498 |
| wikiData | Q105327968 |