5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one
| Internal ID | 70d90c76-5af8-45b2-a919-92befdd6cae7 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC(C(=C)C)O)O |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)C[C@H](C(=C)C)O)O |
| InChI | InChI=1S/C25H26O6/c1-5-14(4)22(28)21-24(30)17(11-18(26)13(2)3)23(29)20-16(12-19(27)31-25(20)21)15-9-7-6-8-10-15/h6-10,12,14,18,26,29-30H,2,5,11H2,1,3-4H3/t14-,18-/m1/s1 |
| InChI Key | RAIZTULKRWIEBV-RDTXWAMCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-6-2r-2-hydroxy-3-methylbut-3-enyl-8-2r-2-methylbutanoyl-4-phenylchromen-2-one.jpg "2D Structure of 5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.73% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.82% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.68% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.43% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.28% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.63% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.11% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.49% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.85% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.00% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.53% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.76% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.39% | 96.09% |
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.
| Euphorbia tithymaloides |
| PubChem | 162878969 |
| LOTUS | LTS0212471 |
| wikiData | Q105232646 |