8-[(1R)-1-hydroxy-3-methyl-2-oxobutyl]-7-methoxychromen-2-one
| Internal ID | 4daeb8f8-aee6-4216-8bd1-6651adeea9f1 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 8-[(1R)-1-hydroxy-3-methyl-2-oxobutyl]-7-methoxychromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-8,14,18H,1-3H3/t14-/m1/s1 |
| InChI Key | QPXQLCIYAJVXPH-CQSZACIVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 8-[(1R)-1-hydroxy-3-methyl-2-oxobutyl]-7-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-1r-1-hydroxy-3-methyl-2-oxobutyl-7-methoxychromen-2-one.jpg "2D Structure of 8-[(1R)-1-hydroxy-3-methyl-2-oxobutyl]-7-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.95% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.33% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.27% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.48% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.06% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.24% | 99.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.17% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.69% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.65% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.52% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.05% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.75% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.17% | 94.45% |
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.
| Leionema coxii |
| Murraya paniculata |
| PubChem | 76764423 |
| LOTUS | LTS0054918 |
| wikiData | Q105225651 |