(3S)-8-hydroxy-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
| Internal ID | 84144077-48c7-4df3-990d-278a00c54e65 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-8-hydroxy-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(=C3O)OC)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@H]2COC3=C(C2=O)C(=CC(=C3O)OC)OC |
| InChI | InChI=1S/C19H20O6/c1-22-13-6-4-11(5-7-13)8-12-10-25-19-16(17(12)20)14(23-2)9-15(24-3)18(19)21/h4-7,9,12,21H,8,10H2,1-3H3/t12-/m0/s1 |
| InChI Key | OFPZTFFWWJIBCC-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O6 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (3S)-8-hydroxy-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-8-hydroxy-57-dimethoxy-3-4-methoxyphenylmethyl-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-8-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.39% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.64% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.26% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.90% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.75% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.45% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.97% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.51% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.66% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.62% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.18% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.37% | 83.82% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.16% | 86.92% |
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 | 163040329 |
| LOTUS | LTS0029714 |
| wikiData | Q105191337 |