4H-1-Benzopyran-4-one, 2,3-dihydro-6-(1-hydroxyethyl)-2,2-dimethyl-
| Internal ID | a53c5b61-233c-44a6-969d-9d5e23b86e9f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 6-(1-hydroxyethyl)-2,2-dimethyl-3H-chromen-4-one |
| SMILES (Canonical) | CC(C1=CC2=C(C=C1)OC(CC2=O)(C)C)O |
| SMILES (Isomeric) | CC(C1=CC2=C(C=C1)OC(CC2=O)(C)C)O |
| InChI | InChI=1S/C13H16O3/c1-8(14)9-4-5-12-10(6-9)11(15)7-13(2,3)16-12/h4-6,8,14H,7H2,1-3H3 |
| InChI Key | PXOSMMQRWXMSBG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 g/mol |
| Exact Mass | 220.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.50 |
| 4H-1-Benzopyran-4-one, 2,3-dihydro-6-(1-hydroxyethyl)-2,2-dimethyl- |
| DTXSID401000673 |
| 2,2-dimethyl-6-(1-hydroxyethyl)-chroman-4-one |
| 6-(1-Hydroxyethyl)-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.23% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.34% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.60% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.24% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.86% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.46% | 96.77% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.72% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.06% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.39% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.46% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.23% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.06% | 94.73% |
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.
| Artemisia campestris |
| Trichogonia grazielae |
| PubChem | 157564 |
| LOTUS | LTS0241025 |
| wikiData | Q82994369 |