3-Phenyl-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)prop-2-en-1-one
| Internal ID | 768a0d4c-66ec-4e3e-82ae-3f82c607d9ed |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | 3-phenyl-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)prop-2-en-1-one |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C(=C(C=C2O)O)C(=O)C=CC3=CC=CC=C3)O)C |
| SMILES (Isomeric) | CC1(C(CC2=C(O1)C(=C(C=C2O)O)C(=O)C=CC3=CC=CC=C3)O)C |
| InChI | InChI=1S/C20H20O5/c1-20(2)17(24)10-13-15(22)11-16(23)18(19(13)25-20)14(21)9-8-12-6-4-3-5-7-12/h3-9,11,17,22-24H,10H2,1-2H3 |
| InChI Key | LDJZZJAEURDRFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.50 |
| 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 | 99.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.25% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.96% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.13% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.79% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.50% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.54% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.01% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.58% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.42% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 90.00% |
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.
| Helichrysum forskahlii |
| PubChem | 163068126 |
| LOTUS | LTS0075068 |
| wikiData | Q105150257 |