8-[(2R,3S,4R)-2,4-dihydroxy-5,5-dimethyloxolan-3-yl]-7-methoxy-2-phenylchromen-4-one
| Internal ID | e0eb1c00-057d-4f1e-9bc1-dc6b4341f671 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 8-[(2R,3S,4R)-2,4-dihydroxy-5,5-dimethyloxolan-3-yl]-7-methoxy-2-phenylchromen-4-one |
| SMILES (Canonical) | CC1(C(C(C(O1)O)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC)O)C |
| SMILES (Isomeric) | CC1([C@@H]([C@@H]([C@@H](O1)O)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC)O)C |
| InChI | InChI=1S/C22H22O6/c1-22(2)20(24)18(21(25)28-22)17-15(26-3)10-9-13-14(23)11-16(27-19(13)17)12-7-5-4-6-8-12/h4-11,18,20-21,24-25H,1-3H3/t18-,20+,21+/m0/s1 |
| InChI Key | XOVMVTBGLHJLEX-CEWLAPEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O6 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 8-[(2R,3S,4R)-2,4-dihydroxy-5,5-dimethyloxolan-3-yl]-7-methoxy-2-phenylchromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-2r3s4r-24-dihydroxy-55-dimethyloxolan-3-yl-7-methoxy-2-phenylchromen-4-one.jpg "2D Structure of 8-[(2R,3S,4R)-2,4-dihydroxy-5,5-dimethyloxolan-3-yl]-7-methoxy-2-phenylchromen-4-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 | 98.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.78% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.03% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.81% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.88% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.02% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.80% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.67% | 95.50% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.83% | 94.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.58% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.40% | 94.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.21% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.60% | 94.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.39% | 85.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.18% | 83.00% |
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 | 162974417 |
| LOTUS | LTS0170444 |
| wikiData | Q105337957 |