7-Hydroxy-6-(2-hydroxy-3-methylbut-3-enyl)chromen-2-one
| Internal ID | 742fb3e2-947b-41e9-b9cf-86dec4bcd433 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-6-(2-hydroxy-3-methylbut-3-enyl)chromen-2-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O |
| SMILES (Isomeric) | CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O |
| InChI | InChI=1S/C14H14O4/c1-8(2)11(15)6-10-5-9-3-4-14(17)18-13(9)7-12(10)16/h3-5,7,11,15-16H,1,6H2,2H3 |
| InChI Key | JEWBSPSVQWSESZ-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) | 66.80 Ų |
| XlogP | 2.40 |
| 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 | 98.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.83% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.84% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.94% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.80% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.28% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.33% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.08% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.95% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.55% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.18% | 99.23% |
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.
| Angelica gigas |
| Boronia lanceolata |
| Phellodendron amurense |
| PubChem | 85433263 |
| LOTUS | LTS0017584 |
| wikiData | Q105126473 |