1-(5-Methoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione
| Internal ID | 731ea71e-12ec-46c8-8427-a7ef4a2e21bb |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-(5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)CC(=O)C3=CC=CC=C3)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)CC(=O)C3=CC=CC=C3)C |
| InChI | InChI=1S/C21H20O4/c1-21(2)12-11-16-19(25-21)10-9-15(20(16)24-3)18(23)13-17(22)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3 |
| InChI Key | QFTWSMLVOZYJPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O4 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 97.27% | 87.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.92% | 90.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 96.68% | 81.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.61% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.40% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.21% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.90% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.39% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.94% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.54% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 84.67% | 97.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.28% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.41% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.64% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.43% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.99% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.71% | 94.73% |
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.
| Lonchocarpus subglaucescens |
| Millettia erythrocalyx |
| Tephrosia purpurea |
| PubChem | 101995825 |
| LOTUS | LTS0273671 |
| wikiData | Q105219762 |