(4R)-5,7-dihydroxy-4-phenyl-8-(3-phenylpropanoyl)-3,4-dihydrochromen-2-one
| Internal ID | dd173ca6-64a6-4a70-aa69-c8b23b3b98eb |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (4R)-5,7-dihydroxy-4-phenyl-8-(3-phenylpropanoyl)-3,4-dihydrochromen-2-one |
| SMILES (Canonical) | C1C(C2=C(C(=C(C=C2O)O)C(=O)CCC3=CC=CC=C3)OC1=O)C4=CC=CC=C4 |
| SMILES (Isomeric) | C1[C@@H](C2=C(C(=C(C=C2O)O)C(=O)CCC3=CC=CC=C3)OC1=O)C4=CC=CC=C4 |
| InChI | InChI=1S/C24H20O5/c25-18(12-11-15-7-3-1-4-8-15)23-20(27)14-19(26)22-17(13-21(28)29-24(22)23)16-9-5-2-6-10-16/h1-10,14,17,26-27H,11-13H2/t17-/m1/s1 |
| InChI Key | AFAVBHVAMSRTSZ-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O5 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.88% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.51% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.72% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.72% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.57% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.17% | 94.73% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.38% | 96.37% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.33% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.22% | 94.45% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.41% | 92.67% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.64% | 94.62% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.57% | 85.11% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.48% | 100.00% |
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.
| Pityrogramma calomelanos |
| Pityrogramma ebenea |
| PubChem | 163040754 |
| LOTUS | LTS0091089 |
| wikiData | Q104910856 |