(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
| Internal ID | d2a84321-18de-4b5f-ae0d-06e2e3195c40 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Neoflavans |
| IUPAC Name | (4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2CC(=O)OC3=CC(=CC(=C23)C=CC4=CC=C(C=C4)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]2CC(=O)OC3=CC(=CC(=C23)C=CC4=CC=C(C=C4)O)O)O |
| InChI | InChI=1S/C24H20O6/c1-29-21-11-15(6-9-20(21)27)19-13-23(28)30-22-12-18(26)10-16(24(19)22)5-2-14-3-7-17(25)8-4-14/h2-12,19,25-27H,13H2,1H3/t19-/m1/s1 |
| InChI Key | ZYHGYHJVGNKOFF-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O6 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r-7-hydroxy-4-4-hydroxy-3-methoxyphenyl-5-2-4-hydroxyphenylethenyl-34-dihydrochromen-2-one.jpg "2D Structure of (4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-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 | 99.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.43% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.40% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.40% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 95.23% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.54% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.24% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.82% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.07% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.64% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.94% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.79% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.78% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.99% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.89% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.99% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.70% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.44% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.22% | 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.
| Smilax corbularia |
| PubChem | 162933191 |
| LOTUS | LTS0161110 |
| wikiData | Q105386150 |