6-(2-Hydroperoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
| Internal ID | 166fa7d8-a4d2-424d-a7d8-8784c2b200e6 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-(2-hydroperoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OO |
| SMILES (Isomeric) | CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OO |
| InChI | InChI=1S/C15H16O5/c1-9(2)12(20-17)7-11-6-10-4-5-15(16)19-14(10)8-13(11)18-3/h4-6,8,12,17H,1,7H2,2-3H3 |
| InChI Key | LZJVVLHCLPNUJM-UHFFFAOYSA-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 | 2.80 |
| There are no found synonyms. |
| 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 | 96.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.96% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.66% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.88% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.28% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.91% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.91% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.75% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.32% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.00% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.83% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.21% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.55% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.03% | 90.00% |
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 | 163041566 |
| LOTUS | LTS0201986 |
| wikiData | Q105159926 |