4-Hydroxy-3-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-6-(2-phenylethenyl)pyran-2-one
| Internal ID | 798fd140-7c2c-4185-9116-f40502da838d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 4-hydroxy-3-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-6-(2-phenylethenyl)pyran-2-one |
| SMILES (Canonical) | CC1=CC(C(CC1)C(C)C)C2=C(C=C(OC2=O)C=CC3=CC=CC=C3)O |
| SMILES (Isomeric) | CC1=CC(C(CC1)C(C)C)C2=C(C=C(OC2=O)C=CC3=CC=CC=C3)O |
| InChI | InChI=1S/C23H26O3/c1-15(2)19-12-9-16(3)13-20(19)22-21(24)14-18(26-23(22)25)11-10-17-7-5-4-6-8-17/h4-8,10-11,13-15,19-20,24H,9,12H2,1-3H3 |
| InChI Key | QNJUNTVTYKUFSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O3 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.40 |
| 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 | 99.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.42% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.84% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.93% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.13% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.72% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.68% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.30% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.05% | 91.49% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.45% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.28% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.88% | 99.15% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.13% | 92.51% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.94% | 94.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.82% | 93.56% |
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.
| There are no matching plants. |
| PubChem | 76450676 |
| LOTUS | LTS0105712 |
| wikiData | Q105224509 |