1,3-Bis-(4-hydroxyphenyl)-2-propen-1-one
| Internal ID | 4c18d0d0-d4eb-472d-9ec3-9edd5f53dc1f |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retrochalcones |
| IUPAC Name | 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H |
| InChI Key | FZQLEXXZAVVCCA-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.25 g/mol |
| Exact Mass | 240.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.40 |
| FZQLEXXZAVVCCA-UHFFFAOYSA-N |
| NCI60_018488 |
| SY342606 |
| 1,3-bis-(4-hydroxyphenyl)-2-propen-1-one |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4081 | P13726 | Coagulation factor III |
0.96 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 93.38% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.56% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.62% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.95% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.64% | 90.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.70% | 97.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.04% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.42% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.41% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.35% | 89.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.00% | 91.71% |
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.
| Abies spectabilis |
| Araucaria angustifolia |
| PubChem | 134561 |
| LOTUS | LTS0156916 |
| wikiData | Q105005118 |