5-methyl-4-[(2Z)-2-[(5S)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]ethoxy]chromen-2-one
| Internal ID | b38578f2-da95-4d24-91d8-0fcdb241b881 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 5-methyl-4-[(2Z)-2-[(5S)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]ethoxy]chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O4/c1-13(2)9-16-10-15(12-23-16)7-8-22-18-11-19(21)24-17-6-4-5-14(3)20(17)18/h4-7,9,11,16H,8,10,12H2,1-3H3/b15-7-/t16-/m1/s1 |
| InChI Key | QYSKIBOKWALCSP-NXADEVLQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 5-methyl-4-[(2Z)-2-[(5S)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]ethoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-4-2z-2-5s-5-2-methylprop-1-enyloxolan-3-ylideneethoxychromen-2-one.jpg "2D Structure of 5-methyl-4-[(2Z)-2-[(5S)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]ethoxy]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 | 97.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.03% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.45% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.02% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.36% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.57% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.41% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.49% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.06% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.79% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.41% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.05% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.81% | 97.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.12% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.13% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.67% | 96.39% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.82% | 89.62% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.61% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.49% | 96.00% |
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.
| Mutisia orbignyana |
| PubChem | 163015440 |
| LOTUS | LTS0125568 |
| wikiData | Q105230431 |