Corylinal
| Internal ID | 3b3e0133-625b-424e-b212-8a8e1a7b5f7b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)C=O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)C=O)O |
| InChI | InChI=1S/C16H10O5/c17-7-10-5-9(1-4-14(10)19)13-8-21-15-6-11(18)2-3-12(15)16(13)20/h1-8,18-19H |
| InChI Key | RSDJURKESRJBKH-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H10O5 |
| Molecular Weight | 282.25 g/mol |
| Exact Mass | 282.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.50 |
| 2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde |
| RefChem:128132 |
| 65615-46-5 |
| SCHEMBL30705195 |
| CHEBI:196272 |
| LMPK12050032 |
| 2-hydroxy-5-(7-hydroxy-4-oxo-4h-1-benzopyran-3-yl) 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 99.75% | 98.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.78% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.91% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.41% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.61% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.32% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.67% | 80.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 89.60% | 95.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.97% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.80% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.68% | 91.49% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.48% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.67% | 91.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.85% | 94.00% |
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.
| Cullen corylifolium |