6-Hydroxy-2-(2-hydroxy-2-phenylethyl)chromone
| Internal ID | 14b33e5f-01fe-4ed7-853b-257b17c38482 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 6-hydroxy-2-(2-hydroxy-2-phenylethyl)chromen-4-one |
| SMILES (Canonical) | C1=CC=C(C=C1)C(CC2=CC(=O)C3=C(O2)C=CC(=C3)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(CC2=CC(=O)C3=C(O2)C=CC(=C3)O)O |
| InChI | InChI=1S/C17H14O4/c18-12-6-7-17-14(8-12)16(20)10-13(21-17)9-15(19)11-4-2-1-3-5-11/h1-8,10,15,18-19H,9H2 |
| InChI Key | SDASTLHZVRJVGO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H14O4 |
| Molecular Weight | 282.29 g/mol |
| Exact Mass | 282.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.10 |
| 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 | 98.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.21% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.98% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.24% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.09% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.15% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.03% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.31% | 94.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 83.24% | 93.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.03% | 86.33% |
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.
| Aquilaria sinensis |
| PubChem | 12017313 |
| LOTUS | LTS0263741 |
| wikiData | Q105250543 |