8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
| Internal ID | e4e17410-0d57-4623-9af8-d48a36a731a6 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O5/c1-12(2)8-9-23-16-11-15(22-5)14(10-17-20(3,4)25-17)19-13(16)6-7-18(21)24-19/h6-8,11,17H,9-10H2,1-5H3 |
| InChI Key | BRUAGUVBIBZDRG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 57.30 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-33-dimethyloxiran-2-ylmethyl-7-methoxy-5-3-methylbut-2-enoxychromen-2-one.jpg "2D Structure of 8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)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 | 98.86% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.71% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.74% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.91% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.83% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.78% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.57% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.16% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.15% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.90% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.78% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.63% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.27% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.89% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.02% | 89.62% |
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.
| Libanotis sibirica |
| PubChem | 12772888 |
| LOTUS | LTS0074069 |
| wikiData | Q104945011 |