[4-(7-Hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] 3-phenylprop-2-enoate
| Internal ID | 53cf896e-1202-4a1b-99b2-29a2fb4d4ea7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | [4-(7-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1(C(C(CO1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=CC=C4)O)OC(=O)C=CC5=CC=CC=C5)C |
| SMILES (Isomeric) | CC1(C(C(CO1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=CC=C4)O)OC(=O)C=CC5=CC=CC=C5)C |
| InChI | InChI=1S/C30H28O6/c1-30(2)29(36-26(33)16-13-19-9-5-3-6-10-19)22(18-34-30)27-23(31)15-14-21-24(32)17-25(35-28(21)27)20-11-7-4-8-12-20/h3-16,22,25,29,31H,17-18H2,1-2H3 |
| InChI Key | QBEVDWJGVNNOGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O6 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [4-(7-Hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-hydroxy-4-oxo-2-phenyl-23-dihydrochromen-8-yl-22-dimethyloxolan-3-yl-3-phenylprop-2-enoate.jpg "2D Structure of [4-(7-Hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] 3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.65% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.45% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.79% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.64% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.59% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.58% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.14% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.69% | 97.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.84% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 85.79% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.75% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.64% | 91.19% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.16% | 80.78% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.67% | 83.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.45% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.14% | 96.00% |
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 | 85209866 |
| LOTUS | LTS0096913 |
| wikiData | Q105217752 |