Uepygmlwwbfeic-uhfffaoysa-
| Internal ID | 02b240c2-b2a9-467a-a20b-d7ec743f02a5 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-butanoyl-7-methoxychromen-2-one |
| SMILES (Canonical) | CCCC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
| SMILES (Isomeric) | CCCC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
| InChI | InChI=1S/C14H14O4/c1-3-4-11(15)10-7-9-5-6-14(16)18-12(9)8-13(10)17-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | UEPYGMLWWBFEIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.40 |
| InChI=1/C14H14O4/c1-3-4-11(15)10-7-9-5-6-14(16)18-12(9)8-13(10)17-2/h5-8H,3-4H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.79% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.47% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.64% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.28% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.34% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.08% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.14% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.54% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.25% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.69% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.07% | 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.
| Haplophyllum tenue |
| PubChem | 15229789 |
| LOTUS | LTS0066516 |
| wikiData | Q104396414 |