(2s)-8-Formyl-5-hydroxy-7-methoxy-6-methylflavanone
| Internal ID | 1a2b288f-5aaa-4c27-80e3-7f5729c318de |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2S)-5-hydroxy-7-methoxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1OC)C=O)OC(CC2=O)C3=CC=CC=C3)O |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1OC)C=O)O[C@@H](CC2=O)C3=CC=CC=C3)O |
| InChI | InChI=1S/C18H16O5/c1-10-16(21)15-13(20)8-14(11-6-4-3-5-7-11)23-18(15)12(9-19)17(10)22-2/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1 |
| InChI Key | QJQJKEWQUOORFC-AWEZNQCLSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.90 |
| CHEMBL1271364 |
| (2s)-8-formyl-5-hydroxy-7-methoxy-6-methylflavanone |
| SCHEMBL661408 |
| BDBM50482876 |
| Q27138993 |
| (2s)-8-formyl-5-hydroxy-7-methoxy-6-methyl-flavanone |
| (2S)-5-hydroxy-7-methoxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde |
| (2S)-5-hydroxy-7-methoxy-6-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.80% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.34% | 98.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.11% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.43% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.39% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.39% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.14% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.24% | 93.56% |
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.
| Syzygium nervosum |
| PubChem | 12132943 |
| LOTUS | LTS0058513 |
| wikiData | Q27138993 |