8-Benzoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-phenylchromen-2-one
| Internal ID | 45a125b1-e5f7-4883-a4d5-054606847623 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 8-benzoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-phenylchromen-2-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C(=C1O)C(=O)C3=CC=CC=C3)OC(=O)C=C2C4=CC=CC=C4)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C(=C1O)C(=O)C3=CC=CC=C3)OC(=O)C=C2C4=CC=CC=C4)O)C |
| InChI | InChI=1S/C27H22O5/c1-16(2)13-14-19-25(30)22-20(17-9-5-3-6-10-17)15-21(28)32-27(22)23(26(19)31)24(29)18-11-7-4-8-12-18/h3-13,15,30-31H,14H2,1-2H3 |
| InChI Key | GQLIHCFGTZHRID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H22O5 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.97% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.39% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.36% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.24% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.31% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.20% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.74% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.56% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.72% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.22% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.16% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.05% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.68% | 96.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.46% | 81.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.25% | 97.21% |
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.
| Berberis actinacantha |
| Euphorbia tithymaloides |
| PubChem | 57412145 |
| LOTUS | LTS0088664 |
| wikiData | Q105282904 |