Hydroisoflavone B
| Internal ID | c3eef245-f1f5-4441-a029-aa85f4fb8d14 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 5,7-dihydroxy-3-[(1S,3R,4R)-1,3,4-trihydroxycyclohexyl]chromen-4-one |
| SMILES (Canonical) | C1CC(CC(C1O)O)(C2=COC3=CC(=CC(=C3C2=O)O)O)O |
| SMILES (Isomeric) | C1C[C@](C[C@H]([C@@H]1O)O)(C2=COC3=CC(=CC(=C3C2=O)O)O)O |
| InChI | InChI=1S/C15H16O7/c16-7-3-10(18)13-12(4-7)22-6-8(14(13)20)15(21)2-1-9(17)11(19)5-15/h3-4,6,9,11,16-19,21H,1-2,5H2/t9-,11-,15+/m1/s1 |
| InChI Key | LYKJAYDNDPZVTH-OSQNNJELSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.28 g/mol |
| Exact Mass | 308.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 0.00 |
| CHEMBL1081363 |
| 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 | 99.54% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.51% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.82% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.19% | 96.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.12% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.34% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.04% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.99% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.59% | 97.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.90% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.67% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.53% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.84% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.30% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.11% | 98.95% |
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.
| Kopsia fruticosa |
| Kopsia singapurensis |
| Kopsia teoi |
| PubChem | 46879794 |
| LOTUS | LTS0110807 |
| wikiData | Q105196897 |