2,5-Cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-
| Internal ID | 35fd85c7-9a04-47a9-a993-8d7ef264b412 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Quinomethanes > P-quinomethanes |
| IUPAC Name | (4Z)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | COC1=CC(=O)C(=CC1=CC=CC2=CC=CC=C2)O |
| SMILES (Isomeric) | COC\1=CC(=O)C(=C/C1=C/C=C/C2=CC=CC=C2)O |
| InChI | InChI=1S/C16H14O3/c1-19-16-11-15(18)14(17)10-13(16)9-5-8-12-6-3-2-4-7-12/h2-11,17H,1H3/b8-5+,13-9- |
| InChI Key | LUZUAYAKZLCOCQ-GKPGWJKISA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.28 g/mol |
| Exact Mass | 254.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.90 |
| 21105-15-7 |
| NSC 269107 |
| 62745-67-9 |
| AI3-29069 |
| 2,5-Cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)- |
| 2,5-Cyclohexadien-1-one, 2-hydroxy-5-methoxy-4-(3-phenyl-2-propenylidene)-, (E,E)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.90% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.77% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 94.81% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.43% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.11% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.58% | 94.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.43% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.28% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.59% | 91.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.37% | 95.50% |
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.
| Dalbergia retusa |
| PubChem | 6377243 |
| LOTUS | LTS0254729 |
| wikiData | Q105157733 |