(3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one
| Internal ID | 5661aa19-68da-401c-87c3-c1d19ae4c897 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O5/c1-21-14-5-3-11(16(9-14)22-2)7-12-10-23-17-8-13(19)4-6-15(17)18(12)20/h3-6,8-9,12,19H,7,10H2,1-2H3/t12-/m0/s1 |
| InChI Key | UUHSEVHLZHLTLE-LBPRGKRZSA-N |
| Popularity | 2 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 (3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-3-24-dimethoxyphenylmethyl-7-hydroxy-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-3-[(2,4-dimethoxyphenyl)methyl]-7-hydroxy-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 | 98.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.57% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.16% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.25% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.62% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.34% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.49% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.11% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.01% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.52% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.46% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.85% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.32% | 89.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.21% | 93.31% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.62% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.54% | 91.07% |
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.
| Caesalpinia pulcherrima |
| PubChem | 162899831 |
| LOTUS | LTS0197438 |
| wikiData | Q105279336 |