(3S)-3-[(4-hydroxyphenyl)methyl]-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
| Internal ID | 63f0d822-ae3e-440e-8c48-0a6a81af7e24 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-3-[(4-hydroxyphenyl)methyl]-5,6,7-trimethoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)OC[C@@H](C2=O)CC3=CC=C(C=C3)O)OC)OC |
| InChI | InChI=1S/C19H20O6/c1-22-15-9-14-16(19(24-3)18(15)23-2)17(21)12(10-25-14)8-11-4-6-13(20)7-5-11/h4-7,9,12,20H,8,10H2,1-3H3/t12-/m0/s1 |
| InChI Key | VKPQVXZRNYDKMV-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)-3-[(4-hydroxyphenyl)methyl]-5,6,7-trimethoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-3-4-hydroxyphenylmethyl-567-trimethoxy-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-3-[(4-hydroxyphenyl)methyl]-5,6,7-trimethoxy-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.67% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.65% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.25% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.56% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.55% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.47% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.96% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.16% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.76% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.63% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.48% | 90.93% |
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 | 162855132 |
| LOTUS | LTS0236313 |
| wikiData | Q105287987 |