(3S)-3-[(3,4-dimethoxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | 2fe924a3-c61e-46d7-8d75-c2607e75b65f |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-3-[(3,4-dimethoxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@H]2COC3=CC(=CC(=C3C2=O)O)O)OC |
| InChI | InChI=1S/C18H18O6/c1-22-14-4-3-10(6-15(14)23-2)5-11-9-24-16-8-12(19)7-13(20)17(16)18(11)21/h3-4,6-8,11,19-20H,5,9H2,1-2H3/t11-/m0/s1 |
| InChI Key | UDLKMPACHSCDFX-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (3S)-3-[(3,4-dimethoxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-3-34-dimethoxyphenylmethyl-57-dihydroxy-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-3-[(3,4-dimethoxyphenyl)methyl]-5,7-dihydroxy-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 | 96.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.72% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.72% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.41% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.79% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.31% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.53% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.75% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.79% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.70% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.55% | 92.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.73% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.87% | 92.94% |
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 | 163004768 |
| LOTUS | LTS0129020 |
| wikiData | Q105270410 |