15-Hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one
| Internal ID | fcfc55ac-0172-47da-bb8d-b6adba1c717d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 15-hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one |
| SMILES (Canonical) | CC1(C(C2C(O1)OC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)O)C |
| SMILES (Isomeric) | CC1(C(C2C(O1)OC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)O)C |
| InChI | InChI=1S/C21H18O5/c1-21(2)19(23)17-16-14(25-20(17)26-21)9-8-12-13(22)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17,19-20,23H,1-2H3 |
| InChI Key | XBKLVCYSINXGAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 15-Hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/5a284a50-86fa-11ee-9fae-bf5b91d169af.jpg "2D Structure of 15-Hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one")
| 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 | 98.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.97% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.81% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.17% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.89% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.80% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.42% | 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.
| Tephrosia purpurea |
| Tephrosia semiglabra |
| PubChem | 15224181 |
| LOTUS | LTS0110326 |
| wikiData | Q105324546 |