Demethyleucomine
| Internal ID | 9d0884a8-ba6e-4135-a647-ed91829852b2 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids |
| IUPAC Name | 5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one |
| SMILES (Canonical) | C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(C=C(C=C3O1)O)O |
| SMILES (Isomeric) | C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(C=C(C=C3O1)O)O |
| InChI | InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2 |
| InChI Key | PKCWSPYCHMNVKB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.80 |
| O-Demethyleucomin |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B |
8.61 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.98% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.75% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.55% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.15% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.44% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 90.37% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.02% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.79% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.29% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.56% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.02% | 91.49% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.87% | 93.10% |
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.
| Anemarrhena asphodeloides |
| Eucomis comosa |
| Schizocarphus nervosus |
| PubChem | 73196193 |
| LOTUS | LTS0046903 |
| wikiData | Q105210325 |