4H-1-Benzopyran-4-one, 8-(2,5-dihydro-5,5-dimethyl-2-oxo-3-furanyl)-7-methoxy-2-phenyl-
| Internal ID | 431dc61e-bec8-4fc9-8ead-5cc65779becb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 8-(5,5-dimethyl-2-oxofuran-3-yl)-7-methoxy-2-phenylchromen-4-one |
| SMILES (Canonical) | CC1(C=C(C(=O)O1)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC)C |
| SMILES (Isomeric) | CC1(C=C(C(=O)O1)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC)C |
| InChI | InChI=1S/C22H18O5/c1-22(2)12-15(21(24)27-22)19-17(25-3)10-9-14-16(23)11-18(26-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3 |
| InChI Key | SKQPIWMUDPBWMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H18O5 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.70 |
| 75425-28-4 |
| Apollinin |
| DTXSID90226353 |
| 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 | 98.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.75% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.23% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.21% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.13% | 93.99% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.74% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.15% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.40% | 97.14% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.79% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.47% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.21% | 85.14% |
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.
| Tephrosia nubica |
| Tephrosia purpurea |
| PubChem | 156338 |
| LOTUS | LTS0190858 |
| wikiData | Q83105745 |