5,7-Dihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | f75253a0-91f8-4042-b6d0-7b6d617e7150 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 5,7-dihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4C(OC5=C(C4=O)C=CC(=C5)O)C6=CC=C(C=C6)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4C(OC5=C(C4=O)C=CC(=C5)O)C6=CC=C(C=C6)O)O |
| InChI | InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)29-25(27(36)20-10-9-18(33)12-22(20)38-29)26-28(37)24-21(35)11-19(34)13-23(24)39-30(26)15-3-7-17(32)8-4-15/h1-13,25-26,29-35H |
| InChI Key | MFXZKXGEIZZQJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/790b3a20-84a4-11ee-9c63-ad38f76b8971.jpg "2D Structure of 5,7-Dihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-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 | 98.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.83% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.23% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.08% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.02% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.59% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 87.43% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.59% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.18% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.47% | 98.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.21% | 90.93% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.74% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.01% | 93.40% |
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.
| Ormocarpum kirkii |
| PubChem | 75153825 |
| LOTUS | LTS0121082 |
| wikiData | Q105163089 |