(e)-1-(8-Hydroxy-2,2-dimethylchroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
| Internal ID | 620c4e5f-b333-4287-9d7f-170d4d09f106 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retrochalcones |
| IUPAC Name | (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC1(CCC2=C(C=CC(=C2O1)O)C(=O)C=CC3=CC=C(C=C3)O)C |
| SMILES (Isomeric) | CC1(CCC2=C(C=CC(=C2O1)O)C(=O)/C=C/C3=CC=C(C=C3)O)C |
| InChI | InChI=1S/C20H20O4/c1-20(2)12-11-16-15(8-10-18(23)19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+ |
| InChI Key | IHXFKGYLEMDOHV-WEVVVXLNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.00 |
| (e)-1-(8-hydroxy-2,2-dimethylchroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| 92662-86-7 |
| (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SCHEMBL15620335 |
| LMPK12120192 |
| 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 | 99.03% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.56% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.52% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.71% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.06% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.29% | 85.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.64% | 97.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.72% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.24% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 82.03% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.65% | 91.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.59% | 93.10% |
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.
| Crotalaria madurensis |
| PubChem | 6442991 |
| LOTUS | LTS0223514 |
| wikiData | Q76386898 |