(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
| Internal ID | 27b3f6a2-40e6-49e1-b387-21fa931a7f73 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@@H]2COC3=C(C2=O)C(=CC(=C3)OC)OC |
| InChI | InChI=1S/C19H20O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-7,9-10,13H,8,11H2,1-3H3/t13-/m1/s1 |
| InChI Key | JKMJUFLHBMBSQL-CYBMUJFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-57-dimethoxy-3-4-methoxyphenylmethyl-23-dihydrochromen-4-one.jpg "2D Structure of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.19% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.19% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.28% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.25% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.11% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.91% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.76% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.01% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.59% | 94.80% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.36% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.34% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.69% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.12% | 93.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.17% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.09% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.05% | 98.75% |
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.
| Schizocarphus nervosus |
| PubChem | 102210986 |
| LOTUS | LTS0127897 |
| wikiData | Q105130344 |