4-Hydroxy-3-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzaldehyde
| Internal ID | 4525b3bc-a926-49e3-8767-f6fbee9d6a84 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones > Flavanonols |
| IUPAC Name | 4-hydroxy-3-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzaldehyde |
| SMILES (Canonical) | C1=CC(=C(C=C1C=O)C2=C(C=CC(=C2)C3C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=O)C2=C(C=CC(=C2)C3C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O |
| InChI | InChI=1S/C22H16O8/c23-9-10-1-3-15(25)13(5-10)14-6-11(2-4-16(14)26)22-21(29)20(28)19-17(27)7-12(24)8-18(19)30-22/h1-9,21-22,24-27,29H |
| InChI Key | BGNQVVFWQJYTCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H16O8 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-3-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-3-2-hydroxy-5-357-trihydroxy-4-oxo-23-dihydrochromen-2-ylphenylbenzaldehyde.jpg "2D Structure of 4-Hydroxy-3-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.69% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.34% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.10% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.77% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.42% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.53% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.23% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 88.30% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.37% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.32% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.73% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.82% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.16% | 96.09% |
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.
| Hypnum cupressiforme |
| PubChem | 101632347 |
| LOTUS | LTS0176304 |
| wikiData | Q104935647 |