(3R)-3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
| Internal ID | fd36dec7-4fb9-4667-ac30-175c726093be |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3R)-3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC2=C(C(=C1)OC)C(=O)C(CO2)CC3=CC=C(C=C3)O |
| SMILES (Isomeric) | COC1=CC2=C(C(=C1)OC)C(=O)[C@@H](CO2)CC3=CC=C(C=C3)O |
| InChI | InChI=1S/C18H18O5/c1-21-14-8-15(22-2)17-16(9-14)23-10-12(18(17)20)7-11-3-5-13(19)6-4-11/h3-6,8-9,12,19H,7,10H2,1-2H3/t12-/m1/s1 |
| InChI Key | SGHKZWOCDRSAAC-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (3R)-3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-4-hydroxyphenylmethyl-57-dimethoxy-23-dihydrochromen-4-one.jpg "2D Structure of (3R)-3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.22% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.74% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.72% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.64% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.59% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.29% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.15% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.15% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.97% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.05% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.67% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.51% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.45% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.85% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.73% | 96.09% |
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.
| Drimiopsis burkei |
| Schizocarphus nervosus |
| PubChem | 162976217 |
| LOTUS | LTS0212319 |
| wikiData | Q105252318 |