(12,13,13-Trimethyl-4-oxo-6-phenyl-7,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,5,8-tetraen-12-yl) acetate
| Internal ID | a8a2de69-1440-4d9a-9f66-5617f614b342 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Furanoflavones |
| IUPAC Name | (12,13,13-trimethyl-4-oxo-6-phenyl-7,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,5,8-tetraen-12-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1(C2C(OC3=C2C=C4C(=C3)C(=O)C=C(O4)C5=CC=CC=C5)OC1(C)C)C |
| SMILES (Isomeric) | CC(=O)OC1(C2C(OC3=C2C=C4C(=C3)C(=O)C=C(O4)C5=CC=CC=C5)OC1(C)C)C |
| InChI | InChI=1S/C24H22O6/c1-13(25)29-24(4)21-16-11-19-15(10-20(16)28-22(21)30-23(24,2)3)17(26)12-18(27-19)14-8-6-5-7-9-14/h5-12,21-22H,1-4H3 |
| InChI Key | MEZWCMSJPRUAKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O6 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (12,13,13-Trimethyl-4-oxo-6-phenyl-7,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,5,8-tetraen-12-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2c9c7a20-8704-11ee-a9e5-1796dddef686.jpg "2D Structure of (12,13,13-Trimethyl-4-oxo-6-phenyl-7,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,5,8-tetraen-12-yl) acetate")
| 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 | 99.31% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.20% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.00% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.58% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.29% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.80% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.75% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.26% | 94.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.21% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 83.05% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.49% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.47% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.82% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.35% | 94.45% |
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.
| Tephrosia purpurea |
| PubChem | 163060797 |
| LOTUS | LTS0138850 |
| wikiData | Q105162500 |