(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
| Internal ID | 9599ca15-a6c4-4fe7-b276-359a0b2e0115 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H18O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,20-21,23-26,28H,9H2/t20-,21-/m1/s1 |
| InChI Key | HELLEJINRNHBKU-NHCUHLMSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H18O7 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s-357-trihydroxy-2-4-hydroxyphenyl-8-4-hydroxyphenylmethyl-23-dihydrochromen-4-one.jpg "2D Structure of (2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)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 | 95.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.16% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.03% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.93% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.47% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.62% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.47% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.09% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.26% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.23% | 86.92% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.59% | 96.37% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.48% | 95.89% |
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.
| Maclura tricuspidata |
| PubChem | 162886502 |
| LOTUS | LTS0081451 |
| wikiData | Q105026884 |