2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one
| Internal ID | d6726298-b12c-4229-8272-00cc44d16a4d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 2-hydroxy-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone |
| SMILES (Canonical) | CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)CO)C |
| SMILES (Isomeric) | CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)CO)C |
| InChI | InChI=1S/C14H16O4/c1-14(2)5-4-9-6-10(11(16)8-15)13(17-3)7-12(9)18-14/h4-7,15H,8H2,1-3H3 |
| InChI Key | JOWYWQXFPOGGCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.27 g/mol |
| Exact Mass | 248.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| DTXSID00797145 |
| 2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.07% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.50% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.76% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.61% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.41% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.32% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.97% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.40% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.95% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.85% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.86% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.72% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.45% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.27% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.33% | 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.
| Calea sickii |
| Helichrysum cymosum |
| Madia sativa |
| PubChem | 71374358 |
| LOTUS | LTS0149852 |
| wikiData | Q82768237 |