5-Hydroxy-7-[2-hydroxy-2-(6-oxo-2,3-dihydropyran-2-yl)-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-4-one
| Internal ID | d8019aca-4b85-4b50-a6c4-95a54d82fa68 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 5-hydroxy-7-[2-hydroxy-2-(6-oxo-2,3-dihydropyran-2-yl)-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C=CC(=O)OC1C(C(C2=CC=CC=C2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=CC=C5)O)O |
| SMILES (Isomeric) | C1C=CC(=O)OC1C(C(C2=CC=CC=C2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=CC=C5)O)O |
| InChI | InChI=1S/C28H24O7/c29-20-14-19(15-24-26(20)21(30)16-23(34-24)17-8-3-1-4-9-17)33-28(18-10-5-2-6-11-18)27(32)22-12-7-13-25(31)35-22/h1-11,13-15,22-23,27-29,32H,12,16H2 |
| InChI Key | CMELSWMFJBHJTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O7 |
| Molecular Weight | 472.50 g/mol |
| Exact Mass | 472.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-7-[2-hydroxy-2-(6-oxo-2,3-dihydropyran-2-yl)-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/602f24a0-85a4-11ee-900e-f16ab22cd9aa.jpg "2D Structure of 5-Hydroxy-7-[2-hydroxy-2-(6-oxo-2,3-dihydropyran-2-yl)-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.85% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.78% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.19% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.42% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.18% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.73% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.04% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.91% | 94.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.55% | 99.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.23% | 94.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.14% | 93.40% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.06% | 95.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.80% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.54% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.19% | 91.07% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.82% | 94.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.45% | 99.35% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.96% | 80.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.53% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
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.
| Goniothalamus leiocarpus |
| PubChem | 85284745 |
| LOTUS | LTS0021298 |
| wikiData | Q104964395 |